Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
about
A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte MetabolismVoteDock: consensus docking method for prediction of protein-ligand interactions.Molecular-level simulation of pandemic influenza glycoproteins.Multiple-targeting and conformational selection in the estrogen receptor: computation and experiment.Implicit ligand theory: rigorous binding free energies and thermodynamic expectations from molecular docking.Rational prediction with molecular dynamics for hit identificationKnowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.Challenges and advances in computational docking: 2009 in review.PL-PatchSurfer2: Improved Local Surface Matching-Based Virtual Screening Method That Is Tolerant to Target and Ligand Structure Variation.Structure-based functional design of drugs: from target to lead compound.Exploring c-Met kinase flexibility by sampling and clustering its conformational space.Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case StudyEmpirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and ChallengesReceptor flexibility in small-molecule docking calculations
P2860
Q28553224-AFFBF863-4C90-4EC9-BF42-6E28A683B584Q30393255-88EA0529-BC3B-4113-936D-7EB8373858B0Q30410858-04481898-B63F-4714-BF56-83349B60551BQ35046420-43CB133A-E531-4C7A-9F87-363AB29EBD60Q36287460-6FFE6AFE-1547-4311-9BAA-37F13849D898Q36795631-732AB2D5-EBF1-45C0-88BC-B31810A07449Q36938240-065A3E9A-D0C9-49B0-9CC4-40B533CEEEDEQ37848281-4AA1C77D-4CB5-4AD0-89C7-FABDB65186F4Q39513411-09B3222F-CF5B-4DC5-BC5C-2B6718E51971Q40418641-ADA244F7-2882-481E-9D9C-FBF713DE9402Q51438298-644669E3-78C2-48D2-9994-F236258895E1Q56919414-D947FD86-36E4-4A47-A083-0442ACDD9E2FQ57492456-2988AB85-3BD3-4009-A3F5-51693978418DQ57975284-10B6A024-3046-4130-8A8A-ED0BFE855B1E
P2860
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@en
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@nl
type
label
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@en
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@nl
prefLabel
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@en
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@nl
P2860
P356
P1476
Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.
@en
P2093
Amy C Anderson
Janet L Paulsen
P2860
P304
P356
10.1021/CI9003078
P577
2009-12-01T00:00:00Z