Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.
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Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]urilSpatial analysis and quantification of the thermodynamic driving forces in protein-ligand binding: binding site variabilityAnalysis of the binding surfaces of proteins.A solvated ligand rotamer approach and its application in computational protein design.Systematic placement of structural water molecules for improved scoring of protein-ligand interactionsIdentification of protein-ligand binding sites by the level-set variational implicit-solvent approachHeterogeneous Hydration of p53/MDM2 Complex.A structurally conserved water molecule in Rossmann dinucleotide-binding domains.Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined.The dynamics of peptide-water interactions in dialanine: An ultrafast amide I 2D IR and computational spectroscopy study.An investigation of G-quadruplex structural polymorphism in the human telomere using a combined approach of hydrodynamic bead modeling and molecular dynamics simulation.Structured water molecules in the binding site of bromodomains can be displaced by cosolvent.Designing dual inhibitors of Mdm2/MdmX: Unexpected coupling of water with gatekeeper Y100/99.Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors.Souring control in fluid samples of oil industry using a multiple ligand simultaneous docking (MLSD) strategy.The use of docking-based comparative intermolecular contacts analysis to identify optimal docking conditions within glucokinase and to discover of new GK activators.Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase.Conserved water molecules in X-ray structures highlight the role of water in intramolecular and intermolecular interactions.Effects of protein-crystal hydration and temperature on side-chain conformational heterogeneity in monoclinic lysozyme crystals.Analysis of water patterns in protein kinase binding sites.Free enthalpies of replacing water molecules in protein binding pockets
P2860
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P2860
Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.
description
1995 nî lūn-bûn
@nan
1995年の論文
@ja
1995年学术文章
@wuu
1995年学术文章
@zh-cn
1995年学术文章
@zh-hans
1995年学术文章
@zh-my
1995年学术文章
@zh-sg
1995年學術文章
@yue
1995年學術文章
@zh
1995年學術文章
@zh-hant
name
Hydration in drug design. 3. C ...... sites of homologous proteins.
@en
Hydration in drug design. 3. C ...... sites of homologous proteins.
@nl
type
label
Hydration in drug design. 3. C ...... sites of homologous proteins.
@en
Hydration in drug design. 3. C ...... sites of homologous proteins.
@nl
prefLabel
Hydration in drug design. 3. C ...... sites of homologous proteins.
@en
Hydration in drug design. 3. C ...... sites of homologous proteins.
@nl
P356
P1476
Hydration in drug design. 3. C ...... sites of homologous proteins.
@en
P2093
C S Poornima
P2888
P304
P356
10.1007/BF00124323
P577
1995-12-01T00:00:00Z