Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular Simulation.
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Solvation free energies and hydration structure of N-methyl-p-nitroaniline.Bennett's acceptance ratio and histogram analysis methods enhanced by umbrella sampling along a reaction coordinate in configurational space.Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients.Partial atomic charges and their impact on the free energy of solvation.Comparison of two simulation methods to compute solvation free energies and partition coefficients.Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide: TI versus λ-LEUS.
P2860
Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular Simulation.
description
2011 nî lūn-bûn
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2011年の論文
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2011年論文
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2011年論文
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2011年論文
@zh-hk
2011年論文
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2011年論文
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2011年论文
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2011年论文
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2011年论文
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name
Efficient Solvation Free Energ ...... Ensemble Molecular Simulation.
@en
type
label
Efficient Solvation Free Energ ...... Ensemble Molecular Simulation.
@en
prefLabel
Efficient Solvation Free Energ ...... Ensemble Molecular Simulation.
@en
P356
P1476
Efficient Solvation Free Energ ...... Ensemble Molecular Simulation
@en
P2093
Andrew S Paluch
Jindal K Shah
P304
P356
10.1021/CT1006746
P577
2011-04-13T00:00:00Z