Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy.

Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy.

Item
http://www.wikidata.org/entity/Q35243615
Identification of the functional binding pocket for compounds targeting small-conductance Ca2+-activated potassium channelsApplication of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)In situ data analytics and indexing of protein trajectories.A conservation and biophysics guided stochastic approach to refining docked multimeric proteins.Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions.Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand ChallengeStructural Implications for Selective Targeting of PARPs.Latest developments in molecular docking: 2010-2011 in review.Akt kinase C-terminal modifications control activation loop dephosphorylation and enhance insulin responseTS-Chemscore, a Target-Specific Scoring Function, Significantly Improves the Performance of Scoring in Virtual Screening.Prediction of consensus binding mode geometries for related chemical series of positive allosteric modulators of adenosine and muscarinic acetylcholine receptors.Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
P2860

Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy.

Item
http://www.wikidata.org/entity/Q35243615
description
2011 nî lūn-bûn
@nan
2011 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Evaluation of several two-step ...... ding geometry and free energy.
@ast
Evaluation of several two-step ...... ding geometry and free energy.
@en
type
label
Evaluation of several two-step ...... ding geometry and free energy.
@ast
Evaluation of several two-step ...... ding geometry and free energy.
@en
prefLabel
Evaluation of several two-step ...... ding geometry and free energy.
@ast
Evaluation of several two-step ...... ding geometry and free energy.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698
P921
P932
P356
P1433
P1476
Evaluation of several two-step ...... ding geometry and free energy.
@en
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698
P921
P932