Influence of protonation, tautomeric, and stereoisomeric states on protein-ligand docking results.
about
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationBuilding a virtual ligand screening pipeline using free software: a surveyThe VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling.Docking challenge: protein sampling and molecular docking performance.Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE).Virtual Screening with AutoDock: Theory and Practice.Molecular docking: a powerful approach for structure-based drug discoveryThiazolidinedione-based PI3Kα inhibitors: an analysis of biochemical and virtual screening methods.Protein-protein docking with dynamic residue protonation statesStructure-based design of eugenol analogs as potential estrogen receptor antagonistsVSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin.Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC.Molecular motions in drug design: the coming age of the metadynamics method.Challenges and advances in computational docking: 2009 in review.The role of protonation states in ligand-receptor recognition and binding.Protonation and pK changes in protein-ligand binding.The Rational Design, Synthesis, and Antimicrobial Properties of Thiophene Derivatives That Inhibit Bacterial Histidine Kinases.Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide.Antiurease activity of plants growing in the Czech Republic.Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites.An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings.In Silico ADME/Tox Predictions
P2860
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P2860
Influence of protonation, tautomeric, and stereoisomeric states on protein-ligand docking results.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh
2009年學術文章
@zh-hant
name
Influence of protonation, taut ...... rotein-ligand docking results.
@en
Influence of protonation, taut ...... rotein-ligand docking results.
@nl
type
label
Influence of protonation, taut ...... rotein-ligand docking results.
@en
Influence of protonation, taut ...... rotein-ligand docking results.
@nl
prefLabel
Influence of protonation, taut ...... rotein-ligand docking results.
@en
Influence of protonation, taut ...... rotein-ligand docking results.
@nl
P356
P1476
Influence of protonation, taut ...... rotein-ligand docking results.
@en
P2093
Thomas E Exner
Tim ten Brink
P304
P356
10.1021/CI800420Z
P577
2009-06-01T00:00:00Z