PocketPicker: analysis of ligand binding-sites with shape descriptors.
about
Computational methods in drug discoveryCrystal Structure and Functional Analysis of the Extradiol Dioxygenase LapB from a Long-chain Alkylphenol Degradation Pathway in PseudomonasStructure of theD-alanylgriseoluteic acid biosynthetic protein EhpF, an atypical member of the ANL superfamily of adenylating enzymesPoxA, YjeK, and Elongation Factor P Coordinately Modulate Virulence and Drug Resistance in Salmonella entericaSmall-molecule inhibitor binding to an N-acyl-homoserine lactone synthaseCrystal Structure and Substrate Specificity of D-Galactose-6-Phosphate Isomerase Complexed with SubstratesGeomfinder: a multi-feature identifier of similar three-dimensional protein patterns: a ligand-independent approachbSiteFinder, an improved protein-binding sites prediction server based on structural alignment: more accurate and less time-consumingImproving protein-ligand binding site prediction accuracy by classification of inner pocket points using local featuresPredicting protein ligand binding sites by combining evolutionary sequence conservation and 3D structureBinding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurementsStructure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivoInhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epitheliaExploring the landscape of protein-ligand interaction energy using probabilistic approachUsing multiple microenvironments to find similar ligand-binding sites: application to kinase inhibitor bindingTo Hit or Not to Hit, That Is the Question - Genome-wide Structure-Based Druggability Predictions for Pseudomonas aeruginosa ProteinsPredicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting AtomsOpen source molecular modelingEmerging Computational Methods for the Rational Discovery of Allosteric Drugs.BioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivity.Fractal Dimensions of Macromolecular Structures.Identification of recurring protein structure microenvironments and discovery of novel functional sites around CYS residuesBioGPS: The Music for the Chemo- and Bioinformatics Walzer.DEPTH: a web server to compute depth and predict small-molecule binding cavities in proteinsVASCo: computation and visualization of annotated protein surface contacts.Protein pockets: inventory, shape, and comparisonBinary image representation of a ligand binding site: its application to efficient sampling of a conformational ensembleFlexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.A new protein-ligand binding sites prediction method based on the integration of protein sequence conservation information.Fpocket: an open source platform for ligand pocket detection.fPOP: footprinting functional pockets of proteins by comparative spatial patterns.A novel and efficient tool for locating and characterizing protein cavities and binding sites.Relating the shape of protein binding sites to binding affinity profiles: is there an association?Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand libraryKVFinder: steered identification of protein cavities as a PyMOL plugin.Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.HemeBIND: a novel method for heme binding residue prediction by combining structural and sequence informationPrediction of functionally important residues in globular proteins from unusual central distances of amino acids.Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.Immunosuppressive small molecule discovered by structure-based virtual screening for inhibitors of protein-protein interactions.
P2860
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P2860
PocketPicker: analysis of ligand binding-sites with shape descriptors.
description
2007 nî lūn-bûn
@nan
2007 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի մարտին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
name
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@ast
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@en
type
label
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@ast
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@en
prefLabel
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@ast
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@en
P2860
P356
P1476
PocketPicker: analysis of ligand binding-sites with shape descriptors.
@en
P2093
Martin Weisel
P2860
P2888
P356
10.1186/1752-153X-1-7
P577
2007-03-13T00:00:00Z