about
SwissDock, a protein-small molecule docking web service based on EADock DSSNovel Ligands for a Purine Riboswitch Discovered by RNA-Ligand DockingProtein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit SolvationChallenges and opportunities for new protein crystallization strategies in structure-based drug design.Novel mycosin protease MycP₁ inhibitors identified by virtual screening and 4D fingerprintsVirtual Screening with AutoDock: Theory and Practice.Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir case.The Fundamental Role of Flexibility on the Strength of Molecular Binding.Variability in docking success rates due to dataset preparationPredicting new indications for approved drugs using a proteochemometric method.Structural ensemble in computational drug screening.Challenges and advances in computational docking: 2009 in review.Computational medicinal chemistry in fragment-based drug discovery: what, how and when.Molecular simulations of drug-receptor complexes in anticancer research.Receptor-ligand molecular docking.Limits of Free Energy Computation for Protein-Ligand Interactions.Ligand Identification Scoring Algorithm (LISA).Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores.Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening.Large-scale docking approaches to the kinome.Validation of a computational docking methodology to identify the non-covalent binding site of ligands to DNA.Theoretical studies of HIV-1 reverse transcriptase inhibition.Improving Docking Performance Using Negative Image-Based Rescoring.Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
P2860
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P2860
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունվարին հրատարակված գիտական հոդված
@hy
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
name
Docking screens: right for the right reasons?
@ast
Docking screens: right for the right reasons?
@en
type
label
Docking screens: right for the right reasons?
@ast
Docking screens: right for the right reasons?
@en
prefLabel
Docking screens: right for the right reasons?
@ast
Docking screens: right for the right reasons?
@en
P2860
P1476
Docking screens: right for the right reasons?
@en
P2860
P304
P356
10.2174/156802609789207091
P577
2009-01-01T00:00:00Z