Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development
about
AMMOS: Automated Molecular Mechanics Optimization tool for in silico ScreeningDrug design for ever, from hype to hopeThe utility of geometrical and chemical restraint information extracted from predicted ligand-binding sites in protein structure refinementFlexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.The Combination of Computational and Biosensing Technologies for Selecting Aptamer against Prostate Specific Antigen.Prediction of potency of protease inhibitors using free energy simulations with polarizable quantum mechanics-based ligand charges and a hybrid water model.Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.Advances and challenges in protein-ligand dockingThe Augmenting Effects of Desolvation and Conformational Energy Terms on the Predictions of Docking Programs against mPGES-1.Modeling Protein-Ligand Binding by Mining Minima.Survey of public domain software for docking simulations and virtual screening.Biomolecular simulation and modelling: status, progress and prospects.Computations of standard binding free energies with molecular dynamics simulations.Computational evaluation of protein-small molecule binding.Scoring and lessons learned with the CSAR benchmark using an improved iterative knowledge-based scoring function.
P2860
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P2860
Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development
description
2007 nî lūn-bûn
@nan
2007 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2007年の論文
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2007年論文
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2007年論文
@zh-hant
2007年論文
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2007年論文
@zh-mo
2007年論文
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2007年论文
@wuu
name
Ranking poses in structure-bas ...... n scoring function development
@ast
Ranking poses in structure-bas ...... n scoring function development
@en
Ranking poses in structure-bas ...... n scoring function development
@nl
type
label
Ranking poses in structure-bas ...... n scoring function development
@ast
Ranking poses in structure-bas ...... n scoring function development
@en
Ranking poses in structure-bas ...... n scoring function development
@nl
prefLabel
Ranking poses in structure-bas ...... n scoring function development
@ast
Ranking poses in structure-bas ...... n scoring function development
@en
Ranking poses in structure-bas ...... n scoring function development
@nl
P1476
Ranking poses in structure-bas ...... n scoring function development
@en
P2093
Andrew C Good
Ramkumar Rajamani
P304
P407
P577
2007-05-01T00:00:00Z