Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling.
about
Trypsin-Ligand binding affinities calculated using an effective interaction entropy method under polarized force field.A theoretical insight into selectivity of inhibitors toward two domains of bromodomain-containing protein 4 using molecular dynamics simulations.Computational revelation of binding mechanisms of inhibitors to endocellular protein tyrosine phosphatase 1B using molecular dynamics simulations.Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling.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.Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5
P2860
Q47129892-888F900F-01B9-4C3A-9491-C9ED5E1D4606Q47400790-50064F5E-F273-4905-9450-702688100FC8Q47629500-E2B0CC6C-4362-42ED-B1B7-1A736584E06FQ50130090-50B5FEAB-D06B-41F0-8076-DBD376B0896FQ51023008-2C3174CB-F399-429A-969D-F52EDE6723DAQ51075716-F7FEBB66-322A-4120-B113-1C2309EBC7D3Q58710194-FE4329E0-C940-4913-AFDE-059058F41561
P2860
Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling.
description
2017 nî lūn-bûn
@nan
2017年の論文
@ja
2017年学术文章
@wuu
2017年学术文章
@zh
2017年学术文章
@zh-cn
2017年学术文章
@zh-hans
2017年学术文章
@zh-my
2017年学术文章
@zh-sg
2017年學術文章
@yue
2017年學術文章
@zh-hant
name
Zinc ion-induced conformationa ...... lations and umbrella sampling.
@en
Zinc ion-induced conformationa ...... lations and umbrella sampling.
@nl
type
label
Zinc ion-induced conformationa ...... lations and umbrella sampling.
@en
Zinc ion-induced conformationa ...... lations and umbrella sampling.
@nl
prefLabel
Zinc ion-induced conformationa ...... lations and umbrella sampling.
@en
Zinc ion-induced conformationa ...... lations and umbrella sampling.
@nl
P2860
P356
P1476
Zinc ion-induced conformationa ...... ulations and umbrella sampling
@en
P2093
Jianzhong Chen
Weiliang Zhu
P2860
P304
P356
10.1039/C6CP08105C
P407
P50
P577
2017-01-01T00:00:00Z