How different are structurally flexible and rigid binding sites? Sequence and structural features discriminating proteins that do and do not undergo conformational change upon ligand binding.
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Alternatingly twisted β-hairpins and nonglycine residues in the disallowed II' region of the Ramachandran plot.A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sitesIntegration of Diverse Research Methods to Analyze and Engineer Ca-Binding Proteins: From Prediction to ProductionBUDDY-system: A web site for constructing a dataset of protein pairs between ligand-bound and unbound statesBinary image representation of a ligand binding site: its application to efficient sampling of a conformational ensembleA sequence-based hybrid predictor for identifying conformationally ambivalent regions in proteins.Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPaseStructural interrogation of phosphoproteome identified by mass spectrometry reveals allowed and disallowed regions of phosphoconformation.Role of active site rigidity in activity: MD simulation and fluorescence study on a lipase mutant.ReFlexIn: a flexible receptor protein-ligand docking scheme evaluated on HIV-1 proteaseOdorant receptors of Drosophila are sensitive to the molecular volume of odorants.Structure-based systems biology for analyzing off-target bindingSide-chain conformational changes upon Protein-Protein AssociationThe scoring of poses in protein-protein docking: current capabilities and future directionsPAIRpred: partner-specific prediction of interacting residues from sequence and structureOn the role of electrostatics in protein-protein interactions.Evolutionary Conserved Positions Define Protein Conformational DiversityRegulation of Escherichia coli SOS mutagenesis by dimeric intrinsically disordered umuD gene products.Thermodynamics of T-cell receptor-peptide/MHC interactions: progress and opportunitiesMutagenic mapping suggests a novel binding mode for selective agonists of M1 muscarinic acetylcholine receptorsTarget flexibility: an emerging consideration in drug discovery and design.Knitting and untying the protein network: modulation of protein ensembles as a therapeutic strategy.Enthalpic and entropic contributions in the transesterification of sucrose: computational study of lipases and subtilisin.Heat-shock protein 90 (Hsp90) as anticancer target for drug discovery: an ample computational perspective.Role of sequence evolution and conformational dynamics in the substrate specificity and oligomerization mode of thymidylate kinases.PSCDB: a database for protein structural change upon ligand binding.Analysis and prediction of calcium-binding pockets from apo-protein structures exhibiting calcium-induced localized conformational changes.Amino Acids in Nine Ligand-Prefer Ramachandran RegionsRelative solvent accessible surface area predicts protein conformational changes upon bindingCombinatorial In Silico Strategy towards Identifying Potential Hotspots during Inhibition of Structurally Identical HDAC1 and HDAC2 Enzymes for Effective Chemotherapy against Neurological Disorders.Effects of replacing active site residues in a cold-active alkaline phosphatase with those found in its mesophilic counterpart from Escherichia coli.Cloning, expression and decoding of the cold adaptation of a new widely represented thermolabile subtilisin-like protease.Modeling loop backbone flexibility in receptor-ligand docking simulations.Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities.Computed insight into a peptide inhibitor preventing the induced fit mechanism of MurA enzyme from Pseudomonas aeruginosa.The price of flexibility - a case study on septanoses as pyranose mimetics.Receptor flexibility in small-molecule docking calculations
P2860
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P2860
How different are structurally flexible and rigid binding sites? Sequence and structural features discriminating proteins that do and do not undergo conformational change upon ligand binding.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
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2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
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name
How different are structurally ...... al change upon ligand binding.
@en
How different are structurally ...... al change upon ligand binding.
@nl
type
label
How different are structurally ...... al change upon ligand binding.
@en
How different are structurally ...... al change upon ligand binding.
@nl
prefLabel
How different are structurally ...... al change upon ligand binding.
@en
How different are structurally ...... al change upon ligand binding.
@nl
P1476
How different are structurally ...... al change upon ligand binding.
@en
P2093
Kannan Gunasekaran
P304
P356
10.1016/J.JMB.2006.09.062
P407
P577
2006-09-29T00:00:00Z