Effect of polarization on HIV-1protease and fluoro-substituted inhibitors binding energies by large scale molecular dynamics simulations.
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Trypsin-Ligand binding affinities calculated using an effective interaction entropy method under polarized force field.Computational Study of PCSK9-EGFA Complex with Effective Polarizable Bond Force Field.A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations.Effect of electrostatic polarization and bridging water on CDK2-ligand binding affinities calculated using a highly efficient interaction entropy method.
P2860
Effect of polarization on HIV-1protease and fluoro-substituted inhibitors binding energies by large scale molecular dynamics simulations.
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 03 February 2017
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Effect of polarization on HIV- ...... olecular dynamics simulations.
@en
Effect of polarization on HIV- ...... olecular dynamics simulations.
@nl
type
label
Effect of polarization on HIV- ...... olecular dynamics simulations.
@en
Effect of polarization on HIV- ...... olecular dynamics simulations.
@nl
prefLabel
Effect of polarization on HIV- ...... olecular dynamics simulations.
@en
Effect of polarization on HIV- ...... olecular dynamics simulations.
@nl
P2093
P2860
P356
P1433
P1476
Effect of polarization on HIV- ...... olecular dynamics simulations.
@en
P2093
P2860
P2888
P356
10.1038/SREP42223
P407
P577
2017-02-03T00:00:00Z