Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 16
Results: 20
A QM/MM study of the nature of the entatic state in plastocyanin.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1431, doi. 10.1002/jcc.24666
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- Article
Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1332, doi. 10.1002/jcc.24734
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- Article
Issue Information.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1283, doi. 10.1002/jcc.24560
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- Article
Rigidity and flexibility in the tetrasaccharide linker of proteoglycans from atomic-resolution molecular simulation.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1438, doi. 10.1002/jcc.24738
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- Article
Flexible fitting to cryo-EM density map using ensemble molecular dynamics simulations.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1447, doi. 10.1002/jcc.24785
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A charge equilibration formalism for treating charge transfer effects in MD simulations: Application to water clusters.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1389, doi. 10.1002/jcc.24789
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- Article
Systematic derivation of implicit solvent models for the study of polymer collapse.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1353, doi. 10.1002/jcc.24754
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- Article
Multiple program/multiple data molecular dynamics method with multiple time step integrator for large biological systems.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1410, doi. 10.1002/jcc.24511
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- Article
Exploring the structure and stability of cholesterol dimer formation in multicomponent lipid bilayers.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1479, doi. 10.1002/jcc.24516
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Cover Image, Volume 38, Issue 16.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. i, doi. 10.1002/jcc.24825
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- Article
Heterogeneous dielectric generalized Born model with a van der Waals term provides improved association energetics of membrane-embedded transmembrane helices.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1308, doi. 10.1002/jcc.24691
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Evaluation of the hybrid resolution PACE model for the study of folding, insertion, and pore formation of membrane associated peptides.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1462, doi. 10.1002/jcc.24694
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Cover Image, Volume 38, Issue 16.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. ii, doi. 10.1002/jcc.24825
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- Article
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1376, doi. 10.1002/jcc.24706
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- Article
'Solvent hydrogen-bond occlusion': A new model of polar desolvation for biomolecular energetics.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1321, doi. 10.1002/jcc.24740
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- Article
Gating energetics of a voltage-dependent K<sup>+</sup> channel pore domain.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1472, doi. 10.1002/jcc.24742
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In situ data analytics and indexing of protein trajectories.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1419, doi. 10.1002/jcc.24729
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Computing infrared spectra of proteins using the exciton model.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1362, doi. 10.1002/jcc.24674
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Deep learning for computational chemistry.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1291, doi. 10.1002/jcc.24764
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Membrane insertion of fusion peptides from Ebola and Marburg viruses studied by replica-exchange molecular dynamics simulations.
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- Journal of Computational Chemistry, 2017, v. 38, n. 16, p. 1342, doi. 10.1002/jcc.24717
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