Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization.
about
Identification of xenoestrogens in food additives by an integrated in silico and in vitro approachImproved prediction of HIV-1 protease-inhibitor binding energies by molecular dynamics simulationsSimulating molecular mechanisms of the MDM2-mediated regulatory interactions: a conformational selection model of the MDM2 lid dynamicsMolecular docking screens using comparative models of proteinsTowards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions.Advances and challenges in protein-ligand dockingBackbone dependency further improves side chain prediction efficiency in the Energy-based Conformer Library (bEBL).ReFlexIn: a flexible receptor protein-ligand docking scheme evaluated on HIV-1 proteaseMolecular recognition in the case of flexible targets.Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations.Protein Flexibility in Drug Discovery: From Theory to Computation.Understanding the challenges of protein flexibility in drug design.Receptor-ligand molecular docking.Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms.Side-chain flexibility in protein-ligand binding: the minimal rotation hypothesis.Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation.Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock.Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility.
P2860
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P2860
Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization.
description
1998 nî lūn-bûn
@nan
1998年の論文
@ja
1998年学术文章
@wuu
1998年学术文章
@zh
1998年学术文章
@zh-cn
1998年学术文章
@zh-hans
1998年学术文章
@zh-my
1998年学术文章
@zh-sg
1998年學術文章
@yue
1998年學術文章
@zh-hant
name
Predicting structural effects ...... otein side-chain optimization.
@en
Predicting structural effects ...... otein side-chain optimization.
@nl
type
label
Predicting structural effects ...... otein side-chain optimization.
@en
Predicting structural effects ...... otein side-chain optimization.
@nl
prefLabel
Predicting structural effects ...... otein side-chain optimization.
@en
Predicting structural effects ...... otein side-chain optimization.
@nl
P2860
P1433
P1476
Predicting structural effects ...... otein side-chain optimization.
@en
P2093
Schaffer L
Verkhivker GM
P2860
P304
P356
10.1002/(SICI)1097-0134(19981101)33:2<295::AID-PROT12>3.0.CO;2-F
P407
P577
1998-11-01T00:00:00Z