Computational mapping identifies the binding sites of organic solvents on proteins.
about
Structural conservation of druggable hot spots in protein-protein interfacesPRECISE: a Database of Predicted and Consensus Interaction Sites in EnzymesSurfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of PPI InhibitorsMinimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase InhibitorsEvidence of conformational selection driving the formation of ligand binding sites in protein-protein interfacespMD-Membrane: A Method for Ligand Binding Site Identification in Membrane-Bound ProteinsPocketome via comprehensive identification and classification of ligand binding envelopes.A simple method for finding a protein's ligand-binding pockets.Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase.Characterizing loop dynamics and ligand recognition in human- and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations.Full protein flexibility is essential for proper hot-spot mapping.Dimethyl sulfoxide induced structural transformations and non-monotonic concentration dependence of conformational fluctuation around active site of lysozyme.Towards strain-independent anti-influenza peptides: a SAXS- and modeling-based study.Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques.Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase.Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studiesOptimal clustering for detecting near-native conformations in protein docking.Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.New Frontiers in DruggabilityIdentifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test caseLessons from Hot Spot Analysis for Fragment-Based Drug Discovery.Analysis of protein binding sites by computational solvent mapping.The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins.Relationship between hot spot residues and ligand binding hot spots in protein-protein interfaces.Binding hot spots and amantadine orientation in the influenza a virus M2 proton channelThe structural basis of pregnane X receptor binding promiscuity.Elucidating the druggable interface of protein-protein interactions using fragment docking and coevolutionary analysis.Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics.Druggability assessment of protein-protein interfaces.Computational solvent mapping in structure-based drug design.The use of fake ligands from computational solvent mapping in ligand and structure-based virtual screening.Computational functional group mapping for drug discovery.Computational analysis of protein hotspots.Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition.Physicochemical and residue conservation calculations to improve the ranking of protein-protein docking solutions.Comprehensive experimental and computational analysis of binding energy hot spots at the NF-κB essential modulator/IKKβ protein-protein interface.Domain motion and interdomain hot spots in a multidomain enzymeDeletion of Ser-171 causes inactivation, proteasome-mediated degradation and complete deficiency of human transaldolase.Crystal structure and functional characterization of SF216 from Shigella flexneri.
P2860
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P2860
Computational mapping identifies the binding sites of organic solvents on proteins.
description
2002 nî lūn-bûn
@nan
2002 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2002 թվականի մարտին հրատարակված գիտական հոդված
@hy
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
name
Computational mapping identifies the binding sites of organic solvents on proteins.
@ast
Computational mapping identifies the binding sites of organic solvents on proteins.
@en
Computational mapping identifies the binding sites of organic solvents on proteins.
@nl
type
label
Computational mapping identifies the binding sites of organic solvents on proteins.
@ast
Computational mapping identifies the binding sites of organic solvents on proteins.
@en
Computational mapping identifies the binding sites of organic solvents on proteins.
@nl
prefLabel
Computational mapping identifies the binding sites of organic solvents on proteins.
@ast
Computational mapping identifies the binding sites of organic solvents on proteins.
@en
Computational mapping identifies the binding sites of organic solvents on proteins.
@nl
P2093
P2860
P356
P1476
Computational mapping identifies the binding sites of organic solvents on proteins.
@en
P2093
Sandor Vajda
Sheldon Dennis
Tamas Kortvelyesi
P2860
P304
P356
10.1073/PNAS.062398499
P407
P577
2002-03-19T00:00:00Z