Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm.
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Role of Interfacial Water Molecules in Proline-rich Ligand Recognition by the Src Homology 3 Domain of AblRapid and accurate prediction and scoring of water molecules in protein binding sitesBound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motifInterfacial water molecules in SH3 interactions: Getting the full picture on polyproline recognition by protein-protein interaction domains.Atomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling.Water PMF for predicting the properties of water molecules in protein binding site.Prediction of the water content in protein binding sitesExploiting ordered waters in molecular docking.Analysis of DNA microarrays using algorithms that employ rule-based expert knowledgeSystematic placement of structural water molecules for improved scoring of protein-ligand interactionsFrom static structure to living protein: computational analysis of cytochrome c oxidase main-chain flexibilityCluster analysis of consensus water sites in thrombin and trypsin shows conservation between serine proteases and contributions to ligand specificity.Hydration water and bulk water in proteins have distinct properties in radial distributions calculated from 105 atomic resolution crystal structuresAccounting for water molecules in drug design.A structurally conserved water molecule in Rossmann dinucleotide-binding domains.Molecular mimicry of substrate oxygen atoms by water molecules in the beta-amylase active site.Determination of the interfacial water content in protein-protein complexes from free energy simulationsStoneHinge: hinge prediction by network analysis of individual protein structures.A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking.Classifying "kinase inhibitor-likeness" by using machine-learning methods.Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics.What has virtual screening ever done for drug discovery?Analysis of water patterns in protein kinase binding sites.An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings.Is it the shape of the cavity, or the shape of the water in the cavity?
P2860
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P2860
Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm.
description
1997 nî lūn-bûn
@nan
1997 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年論文
@yue
1997年論文
@zh-hant
1997年論文
@zh-hk
1997年論文
@zh-mo
1997年論文
@zh-tw
1997年论文
@wuu
name
Predicting conserved water-med ...... t-neighbors genetic algorithm.
@ast
Predicting conserved water-med ...... t-neighbors genetic algorithm.
@en
type
label
Predicting conserved water-med ...... t-neighbors genetic algorithm.
@ast
Predicting conserved water-med ...... t-neighbors genetic algorithm.
@en
prefLabel
Predicting conserved water-med ...... t-neighbors genetic algorithm.
@ast
Predicting conserved water-med ...... t-neighbors genetic algorithm.
@en
P2093
P356
P1476
Predicting conserved water-med ...... st-neighbors genetic algorithm
@en
P2093
P304
P356
10.1006/JMBI.1996.0746
P407
P577
1997-01-01T00:00:00Z