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Publications of NIC projects 2019

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Competition Between Kinetics and Thermodynamics During the Growth of Faceted Crystal by Phase Field Modeling
Physica status solidi / B 256(7), 1800518 - () [10.1002/pssb.201800518] BibTeX | EndNote: XML, Text | RIS

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Actively Reduced Airfoil Drag by Transversal Surface Waves
Applied scientific research / B Section B, Electrophysics, acoustics, optics, mathematical methods 102(4), 865 - 886 () [10.1007/s10494-018-9998-z] BibTeX | EndNote: XML, Text | RIS

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Numerical Results for the Lightest Bound States in N = 1 Supersymmetric SU(3) Yang-Mills Theory
Physical review letters 122(22), 221601 () [10.1103/PhysRevLett.122.221601] BibTeX | EndNote: XML, Text | RIS

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Variational analysis of low-lying states in supersymmetric Yang-Mills theory
Journal of high energy physics 2019(4), 150 () [10.1007/JHEP04(2019)150] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Beyond Scaling Relations for the Description of Catalytic Materials
ACS catalysis 2752 - 2759 () [10.1021/acscatal.8b04478] BibTeX | EndNote: XML, Text | RIS

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Ab Initio Thermodynamics of Hydrocarbons Relevant to Graphene Growth at Solid and Liquid Cu Surfaces
The journal of physical chemistry <Washington, DC> / C 123(36), 22299 - 22310 () [10.1021/acs.jpcc.9b05642] BibTeX | EndNote: XML, Text | RIS

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Scale Dependence of Atmosphere–Surface Coupling Through Similarity Theory
Boundary layer meteorology 170(1), 1 - 27 () [10.1007/s10546-018-0386-y] BibTeX | EndNote: XML, Text | RIS

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Supermassive black holes coalescence mediated by massive perturbers: implications for gravitational waves emission and nuclear cluster formation
Monthly notices of the Royal Astronomical Society 484(1), 520 - 542 () [10.1093/mnras/sty3458] BibTeX | EndNote: XML, Text | RIS

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Convexity splitting in a phase field model for surface diffusion
International journal of numerical analysis and modeling 16, 192-209 () BibTeX | EndNote: XML, Text | RIS

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Light-cone distribution amplitudes of octet baryons from lattice QCD
Zeitschrift für Physik <Berlin> / A Hadrons and nuclei A 55(7), 116 () [10.1140/epja/i2019-12803-6] BibTeX | EndNote: XML, Text | RIS

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Light-cone distribution amplitudes of pseudoscalar mesons from lattice QCD
Journal of high energy physics 2019(8), 65 () [10.1007/JHEP08(2019)065] DBCoverage BibTeX | EndNote: XML, Text | RIS

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A Comprehensive Distributed Hydrological Modeling Intercomparison to Support Process Representation and Data Collection Strategies
Water resources research 55(2), 990 - 1010 () [10.1029/2018WR023941] BibTeX | EndNote: XML, Text | RIS

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Structure and binding in halide perovskites: Analysis of static and dynamic effects from dispersion-corrected density functional theory
APL materials 7(2), 021108 - () [10.1063/1.5086541] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Simulating and analysing configurational landscapes of protein–protein contact formation
Interface focus 9(3), 20180062 - () [10.1098/rsfs.2018.0062] BibTeX | EndNote: XML, Text | RIS

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C-terminal Modulators of Heat Shock Protein of 90 kDa (HSP90): State of Development and Modes of Action
Bioorganic & medicinal chemistry 27(21), 115080 () [10.1016/j.bmc.2019.115080] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization
Acta crystallographica / F Structural biology communications Section F F75(4), 270 - 277 () [10.1107/S2053230X19002152] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Towards the equation of state at finite density from the lattice
Nuclear physics <Amsterdam> / A 982, 223 - 226 () [10.1016/j.nuclphysa.2018.12.016] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Posttranslational modification of the NADP-malic enzyme involved in C4 photosynthesis fine-tunes the enzymatic activity during the day
The plant cell 31(10), 2525-2539 () [10.1105/tpc.19.00406] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Extreme velocity gradients in turbulent flows
New journal of physics 21(4), 043004 - () [10.1088/1367-2630/ab0756] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Frequency modulated free electron laser
Optics express 27(6), 8792 - () [10.1364/OE.27.008792] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Assessment of statistical eddy-viscosity turbulence models for unsteady flow at part and overload operation of centrifugal pumps
: [Proceedings] - , 2019. - ISBN - doi:10.29008/ETC2019-047
European Conference on Turbomachinery Fluid Dynamics and Thermodynamics, LausanneLausanne, Switzerland, 8 Apr 2019 - 12 Apr 20192019-04-082019-04-12
[10.29008/ETC2019-047] BibTeX | EndNote: XML, Text | RIS

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Charge-Density-Wave Transitions of Dirac Fermions Coupled to Phonons
Physical review letters 122(7), 077601 () [10.1103/PhysRevLett.122.077601] BibTeX | EndNote: XML, Text | RIS

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First-principles many-body models for electron transport through molecular nanomagnets
Physical review / B 99(23), 235145 () [10.1103/PhysRevB.99.235145] BibTeX | EndNote: XML, Text | RIS

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Multi-channel coupling of decay instability in three-dimensional low-beta plasma
Annales geophysicae 37(5), 835 - 842 () [10.5194/angeo-37-835-2019] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Positron transport and acceleration in beam-driven plasma wakefield accelerators using plasma columns
Physical review accelerators and beams 22(8), 081301 () [10.1103/PhysRevAccelBeams.22.081301] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Topological susceptibility and $η ′$ meson mass from $N_f = 2$ lattice QCD at the physical point
Physical review / D 99(3), 034511 () [10.1103/PhysRevD.99.034511] BibTeX | EndNote: XML, Text | RIS

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Converging a Knowledge-Based Scoring Function: DrugScore2018
Journal of chemical information and modeling 59(1), 509–521 () [10.1021/acs.jcim.8b00582] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nutrient exchange in arbuscular mycorrhizal symbiosis from a thermodynamic point of view
The new phytologist 222(2), 1043-1053 () [10.1111/nph.15646]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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On the Role of Large-Scale Updrafts and Downdrafts in Deviations From Monin–Obukhov Similarity Theory in Free Convection
Boundary layer meteorology 172(3), 371 - 396 () [10.1007/s10546-019-00454-3] BibTeX | EndNote: XML, Text | RIS

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Trying to constrain the location of the QCD critical endpoint with lattice simulations
Nuclear physics <Amsterdam> / A 982, 843 - 846 () [10.1016/j.nuclphysa.2018.12.015]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Deep learning in turbulent convection networks
Proceedings of the National Academy of Sciences of the United States of America 116(18), 8667 - 8672 () [10.1073/pnas.1900358116] BibTeX | EndNote: XML, Text | RIS

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Lattice QCD study of the H dibaryon using hexaquark and two-baryon interpolators
Physical review / D D 99(7), 074505 () [10.1103/PhysRevD.99.074505] BibTeX | EndNote: XML, Text | RIS

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Fourth-order spin correlation function in the extended central spin model
Physical review / B covering condensed matter and materials physics 99(15), 155305 () [10.1103/PhysRevB.99.155305] BibTeX | EndNote: XML, Text | RIS

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Dynamic shortening of disorder potentials in anharmonic halide perovskites
Nature Communications 10(1), 3141 () [10.1038/s41467-019-11087-y] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Leading hadronic contribution to $(g−2)_μ$ from lattice QCD with $N_f=2+1$ flavors of $O(a)$ improved Wilson quarks
Physical review / D D 100(1), 014510 () [10.1103/PhysRevD.100.014510] BibTeX | EndNote: XML, Text | RIS

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Energy level alignment of $Cu (In,Ga)\ (S,Se)_2$ absorber compounds with $In_2\ S_3 , NaIn_5 \ S_8$ , and $CuIn_5\ S_8$ Cd-free buffer materials
Physical review materials 3(7), 075401 () [10.1103/PhysRevMaterials.3.075401] BibTeX | EndNote: XML, Text | RIS

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New insights on the nature of impurity levels in V-doped $In_2 S_3$ : why is it impossible to obtain a metallic intermediate band?
Journal of materials chemistry / A 7(13), 7745 - 7751 () [10.1039/C9TA01629E] BibTeX | EndNote: XML, Text | RIS

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Scratching Cu|Au Nanolaminates
Lubricants 7(5), 44 - () [10.3390/lubricants7050044] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Surface Flaws Control Strain Localization in the Deformation of Cu|Au Nanolaminate Pillars
MRS communications 9(3), 1067 - 1071 () [10.1557/mrc.2019.93] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Excited-state effects in nucleon structure on the lattice using hybrid interpolators
Physical review / D D 100(7), 074510 () [10.1103/PhysRevD.100.074510] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cross-correlations of conserved charges from the lattice
Nuclear physics <Amsterdam> / A 982, 303 - 306 () [10.1016/j.nuclphysa.2018.08.027] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Characterization of wind-shear effects on entrainment in a convective boundary layer
Journal of fluid mechanics 858, 145 - 183 () [10.1017/jfm.2018.761] BibTeX | EndNote: XML, Text | RIS

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Nonsingular Zero-Order Bulk Models of Sheared Convective Boundary Layers
Journal of the atmospheric sciences 76(12), 3697 - 3715 () [10.1175/JAS-D-19-0022.1] BibTeX | EndNote: XML, Text | RIS

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Nucleon isovector charges and twist-2 matrix elements with $N_f$ = 2 + 1 dynamical Wilson quarks
[10.1103/PhysRevD.100.034513] BibTeX | EndNote: XML, Text | RIS

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Nucleon axial, scalar, and tensor charges using lattice QCD at the physical pion mass
Physical review / D D 99(11), 114505 () [10.1103/PhysRevD.99.114505] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nature of the excited states of layered systems and molecular excimers: Exciplex states and their dependence on structure
Physical review / B covering condensed matter and materials physics 99(3), 035425 () [10.1103/PhysRevB.99.035425] BibTeX | EndNote: XML, Text | RIS

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Ab initio thermodynamics study of ambient gases reacting with amorphous carbon
Physical review / B covering condensed matter and materials physics 99(5), 054207 () [10.1103/PhysRevB.99.054207] BibTeX | EndNote: XML, Text | RIS

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Emergence of a field-driven U(1) spin liquid in the Kitaev honeycomb model
Nature Communications 10(1), 530 () [10.1038/s41467-019-08459-9] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Dominant charge density wave correlations in the Holstein model on the half-filled square lattice
Physical review / B 100(16), 165114 () [10.1103/PhysRevB.100.165114] BibTeX | EndNote: XML, Text | RIS

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Orthogonal metal in the Hubbard model with liberated slave spins
Physical review / B 100(12), 125133 () [10.1103/PhysRevB.100.125133] BibTeX | EndNote: XML, Text | RIS

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Constraint HMC algorithms for gauge-Higgs models
The 36th Annual International Symposium on Lattice Field Theory, Michigan State UniversityMichigan State University, East Lansing, Sissa Medialab Trieste, Italy () [10.22323/1.334.0052] BibTeX | EndNote: XML, Text | RIS

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A coarse-grained polymer model for studying the glass transition
The journal of chemical physics 150(9), 091101 - () [10.1063/1.5089417] BibTeX | EndNote: XML, Text | RIS

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Metric for attractor overlap
Journal of fluid mechanics 874, 720 - 755 () [10.1017/jfm.2019.447] BibTeX | EndNote: XML, Text | RIS

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Correlations of non-affine displacements in metallic glasses through the yield transition
JPhys materials 2(4), 045006 - () [10.1088/2515-7639/ab36ed] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Structural and elastic properties of amorphous carbon from simulated quenching at low rates
Modelling and simulation in materials science and engineering 27(8), 085009 - () [10.1088/1361-651X/ab45da] BibTeX | EndNote: XML, Text | RIS

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Parton distribution functions from Ioffe time pseudo-distributions
Journal of high energy physics 2019(12), 81 () [10.1007/JHEP12(2019)081] DBCoverage BibTeX | EndNote: XML, Text | RIS

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How antagonistic salts cause nematic ordering and behave like diblock copolymers
The journal of chemical physics 150(6), 064912 - () [10.1063/1.5085660] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Partially inserted nascent chain unzips the lateral gate of the Sec translocon
EMBO reports 20, e48191 () [10.15252/embr.201948191] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Electronic structure tuning of the anomalous thermoelastic behavior in Nb- X ( X  = Zr, V, Mo) solid solutions
Journal of applied physics 125(21), 215103 - () [10.1063/1.5094968] BibTeX | EndNote: XML, Text | RIS

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Calcium-promoted interaction between the C2-domain protein EHB1 and metal transporter IRT1 inhibits Arabidopsis iron acquisition
Plant physiology 180(3), 1564-1581 () [10.1104/pp.19.00163]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Preconditioning the coarse problem of BDDC methods ‐ three-level, algebraic multigrid, and vertex-based preconditioners
Electronic transactions on numerical analysis 51, 432 - 450 () [10.1553/etna_vol51s432] BibTeX | EndNote: XML, Text | RIS

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Phosphorylated tyrosine 93 of hepatitis C virus nonstructural protein 5A is essential for interaction with host c-Src and efficient viral replication
The journal of biological chemistry 294, 7388-7402 () [10.1074/jbc.RA119.007656]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Isoform-specific Inhibition of N-methyl-D-aspartate Receptors by Bile Salts
Scientific reports 9(1), 10068 () [10.1038/s41598-019-46496-y] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Scalability and some optimization of the Finite-volumE Sea ice–Ocean Model, Version 2.0 (FESOM2)
Geoscientific model development 12(9), 3991 - 4012 () [10.5194/gmd-12-3991-2019] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Numerical simulation of electrically conducting jet flow in a straight duct under longitudinal homogeneous magnetic field
Physics of fluids 31(1), 014108 - () [10.1063/1.5062617] BibTeX | EndNote: XML, Text | RIS

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Synthesis of peptoid-based class I selective histone deacetylase inhibitors with chemosensitizing properties
Journal of medicinal chemistry 62(24), 11260-11279 () [10.1021/acs.jmedchem.9b01489]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Mechano-chemical decomposition of organic friction modifiers with multiple reactive centres induces superlubricity of ta-C
Nature Communications 10(1), 151 () [10.1038/s41467-018-08042-8] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Interplay of charge-transfer and Mott-Hubbard physics approached by an efficient combination of self-interaction correction and dynamical mean-field theory
Physical review / B 100(11), 115125 () [10.1103/PhysRevB.100.115125] BibTeX | EndNote: XML, Text | RIS

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Electronically Coupled Uranium and Iron Oxide Heterojunctions as Efficient Water Oxidation Catalysts
Advanced functional materials 29(50), 1905005 - () [10.1002/adfm.201905005] BibTeX | EndNote: XML, Text | RIS

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N 6 -modified cAMP derivatives that activate protein kinase A also act as full agonists of murine HCN2 channels
The journal of biological chemistry 294, 17978-17987 () [10.1074/jbc.RA119.010246] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Glass formation by severe plastic deformation of crystalline Cu|Zr nano-layers
Acta materialia 165, 577 - 586 () [10.1016/j.actamat.2018.11.045] BibTeX | EndNote: XML, Text | RIS

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JAK2 p.G571S in B-cell precursor acute lymphoblastic leukemia: a synergizing germline susceptibility
Leukemia 33, 2331–2335 () [10.1038/s41375-019-0459-z] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dynamic ordering of driven spherocylinders in a nonequilibrium suspension of small colloidal spheres
Physical review / E covering statistical, nonlinear, biological, and soft matter physics 99(2), 022601 () [10.1103/PhysRevE.99.022601] BibTeX | EndNote: XML, Text | RIS

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Drug–Membrane Permeability across Chemical Space
ACS central science 5(2), 290 - 298 () [10.1021/acscentsci.8b00718] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Statistical analysis of electronic and phononic transport simulations of metallic atomic contacts
Physical review / B 100(12), 125433 () [10.1103/PhysRevB.100.125433] BibTeX | EndNote: XML, Text | RIS

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Co-culture of the fungus Fusarium tricinctum with Streptomyces lividans induces production of cryptic naphthoquinone dimers
RSC Advances 9(3), 1491 - 1500 () [10.1039/C8RA09067J] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Linear-response description of super-exchange driven orbital-ordering in K2CuF4
Physical review / B 100(4), 045116 () [10.1103/PhysRevB.100.045116] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Local and Remote Controls on Arctic Mixed‐Layer Evolution
Journal of advances in modeling earth systems 2019MS001671 () [10.1029/2019MS001671] DBCoverage BibTeX | EndNote: XML, Text | RIS

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A finite element approach for vector- and tensor-valued surface PDEs
Journal of computational physics 389, 48 - 61 () [10.1016/j.jcp.2019.03.006] BibTeX | EndNote: XML, Text | RIS

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Hydrodynamic interactions in polar liquid crystals on evolving surfaces
Physical review fluids 4(4), 044002 () [10.1103/PhysRevFluids.4.044002] BibTeX | EndNote: XML, Text | RIS

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Origin and evolution of ferroelectricity in the layered rare-earth-titanate, $R_2Ti_2O_7$, Carpy-Galy phases
Polyhedron 171, 181 - 192 () [10.1016/j.poly.2019.07.018] BibTeX | EndNote: XML, Text | RIS

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$⟨ x ⟩$ and $⟨x^2⟩$ of the pion PDF from lattice QCD with $N_f=2+1+1$ dynamical quark flavors
Physical review / D 99(1), 014508 () [10.1103/PhysRevD.99.014508] BibTeX | EndNote: XML, Text | RIS

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Novel Fluorescent Cyclic Nucleotide Derivatives to Study CNG and HCN Channel Function
Biophysical journal 116(12), 2411-2422 () [10.1016/j.bpj.2019.05.006] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Direct N-body simulation of the Galactic centre
Monthly notices of the Royal Astronomical Society 484(3), 3279 - 3290 () [10.1093/mnras/stz208] BibTeX | EndNote: XML, Text | RIS

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A Review on Brittle Fracture Nanomechanics by All-Atom Simulations
Nanomaterials 9(7), 1050 - () [10.3390/nano9071050] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Interface Repulsion and Lamellar Structures in Thin Films of Homopolymer Blends due to Thermal Oscillations
Physical review letters 122(23), 237801 () [10.1103/PhysRevLett.122.237801] BibTeX | EndNote: XML, Text | RIS

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Efficiency of radiation friction losses in laser-driven ‘hole boring’ of dense targets
New journal of physics 21(3), 033009 - () [10.1088/1367-2630/ab0119] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Small-molecule inhibitors of nisin resistance protein NSR from the human pathogen Streptococcus agalactiae
Bioorganic & medicinal chemistry 27(20), 115079 () [10.1016/j.bmc.2019.115079] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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An efficient numerical framework for the amplitude expansion of the phase-field crystal model
Modelling and simulation in materials science and engineering 27(4), 044004 () [10.1088/1361-651X/ab1508] BibTeX | EndNote: XML, Text | RIS

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Biallelic mutation of human SLC6A6 encoding the taurine transporter TAUT is linked to early retinal degeneration
The FASEB journal 33(10), 11507–11527 () [10.1096/fj.201900914RR]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Comparison of subgrid-scale models for large-eddy simulation of hydrodynamic and magnetohydrodynamic channel flows
International journal of numerical methods for heat & fluid flow 29(7), 2224 - 2236 () [10.1108/HFF-09-2018-0500] BibTeX | EndNote: XML, Text | RIS

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Emergent Coherent Lattice Behavior in Kondo Nanosystems
Physical review letters 122(9), 097203 () [10.1103/PhysRevLett.122.097203] BibTeX | EndNote: XML, Text | RIS

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Fluorescent analogs of peptoid-based HDAC inhibitors: Synthesis, biological activity and cellular uptake kinetics
Bioorganic & medicinal chemistry 27(19), 115039 - () [10.1016/j.bmc.2019.07.055]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Effects of Gas-Phase Conditions and Particle Size on the Properties of Cu(111)-Supported $Zn_yO_x$ Particles Revealed by Global Optimization and Ab Initio Thermodynamics
The journal of physical chemistry <Washington, DC> / C 123(51), 30903 - 30916 () [10.1021/acs.jpcc.9b07715] BibTeX | EndNote: XML, Text | RIS

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Design, Synthesis and Biological Evaluation of β-Peptoid-Capped HDAC Inhibitors with Anti-Neuroblastoma and Anti-Glioblastoma Activity
MedChemComm 10(7), 1109-1115 () [10.1039/C8MD00454D]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Atomistic Insights Into Lubricated Tungsten/Diamond Sliding Contacts
Frontiers in mechanical engineering 5, 6 () [10.3389/fmech.2019.00006] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Novel 3,4-Dihydroisocoumarins Inhibit Human P-gp and BCRP in Multidrug Resistant Tumors and Demonstrate Substrate Inhibition of Yeast Pdr5
Frontiers in pharmacology 10, 400 () [10.3389/fphar.2019.00400] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Closing the gap between atomic-scale lattice deformations and continuum elasticity
npj computational materials 5(1), 48 () [10.1038/s41524-019-0185-0] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Improvement of surface run‐off in the hydrological model ParFlow by a scale‐consistent river parameterization
Hydrological processes 33(14), 2006-2019 () [10.1002/hyp.13448] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Stability of nanoparticles in solution: A statistical description of crystallization as a finite particle size effect in a lattice-gas model
The journal of chemical physics 150(5), 054504 - () [10.1063/1.5063665] BibTeX | EndNote: XML, Text | RIS

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Cosolvent-enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-based Drug Design
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High-Resolution Analysis of Small Silver Clusters by Analytical Ultracentrifugation
The journal of physical chemistry letters 10(21), 6558 - 6564 () [10.1021/acs.jpclett.9b02755] BibTeX | EndNote: XML, Text | RIS

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Multi-architecture Monte-Carlo (MC) simulation of soft coarse-grained polymeric materials: SOft coarse grained Monte-Carlo Acceleration (SOMA)
Computer physics communications 235, 463 - 476 () [10.1016/j.cpc.2018.08.011] BibTeX | EndNote: XML, Text | RIS

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Rheology of symmetric diblock copolymers
Computational materials science 169, 109107 - () [10.1016/j.commatsci.2019.109107] BibTeX | EndNote: XML, Text | RIS

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Engineering Scale Simulation of Nonequilibrium Network Phases for Battery Electrolytes
Macromolecules 52(5), 2050 - 2062 () [10.1021/acs.macromol.8b02703] BibTeX | EndNote: XML, Text | RIS

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PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein–Lipid-Bilayer System Building
Journal of chemical information and modeling 59(6), 2522-2528 () [10.1021/acs.jcim.9b00269] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural Model of the ETR1 Ethylene Receptor Transmembrane Sensor Domain
Scientific reports 9(1), 8869 () [10.1038/s41598-019-45189-w] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Competing Effects of Droplet Sedimentation and Wind Shear on Entrainment in Stratocumulus
Journal of advances in modeling earth systems 2019MS001617 () [10.1029/2019MS001617] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Magnetic buoyancy in simulated galactic discs with a realistic circumgalactic medium
Monthly notices of the Royal Astronomical Society 483(1), 1008 - 1028 () [10.1093/mnras/sty3083] BibTeX | EndNote: XML, Text | RIS

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Towards Infinite Tilings with Symmetric Boundaries
Symmetry 11(4), 444 - () [10.3390/sym11040444] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Electronic phase separation at $LaAlO_3/SrTiO_3$ interfaces tunable by oxygen deficiency
Physical review materials 3(10), 106001 () [10.1103/PhysRevMaterials.3.106001] BibTeX | EndNote: XML, Text | RIS

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Incorporating a root water uptake model based on the hydraulic architecture approach in terrestrial systems simulations
Agricultural and forest meteorology 269-270, 28 - 45 () [10.1016/j.agrformet.2019.01.034] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermodynamic insights into the entropically driven self-assembly of amphiphilic dyes in water
Chemical science 10(40), 9358 - 9366 () [10.1039/C9SC03103K] DBCoverage BibTeX | EndNote: XML, Text | RIS

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FK506 resistance of Saccharomyces cerevisiae Pdr5 and Candida albicans Cdr1 involves mutations in the transmembrane domains and extracellular loops
Antimicrobial agents and chemotherapy 63(1), e01146-18 () [10.1128/AAC.01146-18] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Anomalous Ostwald Ripening Enables 2D Polymer Crystals via Fast Evaporation
Physical review letters 123(20), 207801 () [10.1103/PhysRevLett.123.207801] BibTeX | EndNote: XML, Text | RIS

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Spectroscopic and ab initio studies of the pressure-induced $Fe^{2+}$ high-spin-to-low-spin electronic transition in natural triphylite–lithiophilite
Physics and chemistry of minerals 46(3), 245 - 258 () [10.1007/s00269-018-1001-y] BibTeX | EndNote: XML, Text | RIS

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Highly Ordered Mesoporous Hydroxide Thin Films through Self-Assembly of Size-Tailored Nanobuilding Blocks: A Theoretical-Experimental Approach
Chemistry of materials 31(2), 322 - 330 () [10.1021/acs.chemmater.8b03082] BibTeX | EndNote: XML, Text | RIS

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H 3 and He 3 calculations without angular momentum decomposition
Physical review / C covering nuclear physics 99(4), 044004 () [10.1103/PhysRevC.99.044004] BibTeX | EndNote: XML, Text | RIS

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Investigating the Diurnal Evolution of the Cloud Size Distribution of Continental Cumulus Convection Using Multiday LES
Journal of the atmospheric sciences 76(3), 729 - 747 () [10.1175/JAS-D-18-0084.1] BibTeX | EndNote: XML, Text | RIS

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Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations: chemical shifts, geometric structure, and coordination-dependent screening
Physical chemistry, chemical physics 21(12), 6651 - 6661 () [10.1039/C8CP07169A] BibTeX | EndNote: XML, Text | RIS

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The tetrahydroxanthone-dimer phomoxanthone A is a strong inducer of apoptosis in cisplatin-resistant solid cancer cells
Bioorganic & medicinal chemistry 27(19), 115044 () [10.1016/j.bmc.2019.115044] BibTeX | EndNote: XML, Text | RIS

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Collective Short-Time Dynamics in Multicomponent Polymer Melts
Macromolecules 52(20), 7704 - 7720 () [10.1021/acs.macromol.9b01709] BibTeX | EndNote: XML, Text | RIS

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Facile and Efficient Atomic Hydrogenation Enabled Black TiO$_2$ with Enhanced Photo‐Electrochemical Activity via a Favorably Low‐Energy‐Barrier Pathway
Advanced energy materials 1900725 - () [10.1002/aenm.201900725] BibTeX | EndNote: XML, Text | RIS

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Rapid interpretation of small-angle X-ray scattering data
PLoS Computational Biology 15(3), e1006900 - () [10.1371/journal.pcbi.1006900] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Topological and geometrical quantities in active cellular structures
The journal of chemical physics 150(16), 164108 - () [10.1063/1.5085766] BibTeX | EndNote: XML, Text | RIS

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Surprising Non-Additivity of Methyl-Groups in Drug-Kinase Interaction
ACS chemical biology 14(12), 2585-2594 () [10.1021/acschembio.9b00476]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Thermodynamic properties of the Shastry-Sutherland model throughout the dimer-product phase
Physical review research 1(3), 033038 () [10.1103/PhysRevResearch.1.033038] BibTeX | EndNote: XML, Text | RIS

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Basal Histamine H4 Receptor Activation: Agonist Mimicry by the Diphenylalanine Motif
Chemistry - a European journal 25(64), 14613-14624 () [10.1002/chem.201902801]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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The H I bias during the Epoch of Reionization
Monthly notices of the Royal Astronomical Society 490(4), 5739 - 5748 () [10.1093/mnras/stz2926] BibTeX | EndNote: XML, Text | RIS

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Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution
Soft matter 15(2), 289 - 302 () [10.1039/C8SM01830H] BibTeX | EndNote: XML, Text | RIS

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Decay of turbulence in a liquid metal duct flow with transverse magnetic field
Journal of fluid mechanics 867, 661 - 690 () [10.1017/jfm.2019.171] BibTeX | EndNote: XML, Text | RIS

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Subject specificity of the correlation between large-scale structural and functional connectivity
Network neuroscience 3(1), 90 - 106 () [10.1162/netn_a_00055] DBCoverage BibTeX | EndNote: XML, Text | RIS


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