Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
about
Fast docking on graphics processing units via Ray-CastingLigand Docking to Intermediate and Close-To-Bound Conformers Generated by an Elastic Network Model Based Algorithm for Highly Flexible ProteinsReFlexIn: a flexible receptor protein-ligand docking scheme evaluated on HIV-1 proteaseInduced fit docking, and the use of QM/MM methods in dockingLatest developments in molecular docking: 2010-2011 in review.Flexible receptor docking for drug discovery.Understanding the challenges of protein flexibility in drug design.Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis.The anisotropic network model web server at 2015 (ANM 2.0).Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation CalculationsThe Movable Type Method Applied to Protein-Ligand BindingRetrospective molecular docking study of WY-25105 ligand to β-secretase and bias of the three-dimensional structure flexibility.Fast force field-based optimization of protein-ligand complexes with graphics processor.Modeling loop backbone flexibility in receptor-ligand docking simulations.Autogrid-based clustering of kinases: selection of representative conformations for docking purposes.re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling.
P2860
Q28535400-87A51181-1411-44FC-B317-B7F8BA7C3EFEQ28552181-B859E5FD-7858-424F-A3EA-83D2D8248D37Q34460848-F652EB3C-9559-44F0-8881-0A616E3657E8Q37036966-248AAFDF-23C2-4C0E-BBBE-FBE70E2E6F42Q38092807-57815637-F52B-43BF-B22E-C5E6E1016A1BQ38574930-FB11B989-2545-4AAC-8E69-B4FE30C466DBQ38594557-280CAFBF-A15F-4C89-B151-62C5699AA466Q38939477-5AFB746F-C3E8-44E8-878D-C5725E7D5F75Q39977512-277E0AD2-9E1C-4ACB-94D2-131D75CB97AEQ41451646-B802D56B-B6B2-4EC6-8320-35FB4E2E7382Q41852852-9F673524-993F-46A2-80F3-61F3FB0C34D3Q46437880-A52E8042-613C-4BF5-8041-4B131507AA6FQ50561057-BED0451A-BE78-4875-AC63-B55BC16FA7ABQ51334109-50898389-93E3-4DE2-8B64-4882410F89CAQ51588719-9A418D36-6811-4D0F-A359-8E53185C2140Q54935970-B431322B-C80F-4DAB-9C28-F7A6A6DB5155
P2860
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@en
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@nl
type
label
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@en
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@nl
prefLabel
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@en
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@nl
P2860
P356
P1476
Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
@en
P2093
Simon Leis
P2860
P304
P356
10.1002/JCC.21923
P577
2011-09-15T00:00:00Z