Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
about
Molecular Shape and Medicinal Chemistry: A PerspectiveDiscovery of novel inhibitors disrupting HIF-1α/von Hippel-Lindau interaction through shape-based screening and cascade dockingA structure-guided approach for protein pocket modeling and affinity prediction.Q-Dock(LHM): Low-resolution refinement for ligand comparative modeling.The utility of geometrical and chemical restraint information extracted from predicted ligand-binding sites in protein structure refinementBSP-SLIM: a blind low-resolution ligand-protein docking approach using predicted protein structuresAdvances in fragment-based drug discovery platforms.Focused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.Surflex-Dock: Docking benchmarks and real-world application.Innovative computer-aided methods for the discovery of new kinase ligands.Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.Does your model weigh the same as a duck?Best of both worlds: on the complementarity of ligand-based and structure-based virtual screeningTheoretical insight into the structural mechanism for the binding of vinblastine with tubulin.Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation.Applying conformational selection theory to improve crossdocking efficiency in 3-phosphoinositide dependent protein kinase-1.Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.Structure- and ligand-based drug design of novel p38-alpha MAPK inhibitors in the fight against the Alzheimer's disease.The use of docking-based comparative intermolecular contacts analysis to identify optimal docking conditions within glucokinase and to discover of new GK activators.FIPSDock: a new molecular docking technique driven by fully informed swarm optimization algorithm.Improving molecular docking through eHiTS' tunable scoring function.Structural Basis and Mechanism of Chiral Benzedrine Molecules Interacting With Third Dopamine Receptor.Molecular dynamics simulation and density functional theory studies on the active pocket for the binding of paclitaxel to tubulin.PLS and shape-based similarity analysis of maleimides--GSK-3 inhibitors.Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case StudyReceptor flexibility in small-molecule docking calculations
P2860
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P2860
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
description
2007 nî lūn-bûn
@nan
2007 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@ast
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@en
type
label
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@ast
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@en
prefLabel
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@ast
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@en
P2093
P356
P1476
Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.
@en
P2093
Jeffrey J Sutherland
Jon A Erickson
Michal Vieth
Ravi K Nandigam
P304
P356
10.1021/CI700253H
P577
2007-10-23T00:00:00Z