Structure-based design of potent inhibitors of scytalone dehydratase: displacement of a water molecule from the active site
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Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophoreRapid and accurate prediction and scoring of water molecules in protein binding sitesInterfacial water molecules in SH3 interactions: Getting the full picture on polyproline recognition by protein-protein interaction domains.Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.Defying the activity-stability trade-off in enzymes: taking advantage of entropy to enhance activity and thermostability.Beyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties.WATsite2.0 with PyMOL Plugin: Hydration Site Prediction and Visualization.Prediction of the water content in protein binding sitesUsing an AraC-based three-hybrid system to detect biocatalysts in vivo.Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation.Systematic placement of structural water molecules for improved scoring of protein-ligand interactionsRational design of a scytalone dehydratase-like enzyme using a structurally homologous protein scaffold.Structure and functional characterization of a bile acid 7α dehydratase BaiE in secondary bile acid synthesis.Water at biomolecular binding interfaces.Regulation of protein-ligand binding affinity by hydrogen bond pairing.MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein-Protein InterfaceEnergetics of displacing water molecules from protein binding sites: consequences for ligand optimizationA medicinal chemist's guide to molecular interactionsAccounting for water molecules in drug design.Molecular mechanisms of tenofovir resistance conferred by human immunodeficiency virus type 1 reverse transcriptase containing a diserine insertion after residue 69 and multiple thymidine analog-associated mutations.Naphthalimides Selectively Inhibit the Activity of Bacterial, Replicative DNA Ligases and Display Bactericidal Effects against Tubercle Bacilli.Analysis of factors influencing hydration site prediction based on molecular dynamics simulations.A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking.Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo.The second naphthol reductase of fungal melanin biosynthesis in Magnaporthe grisea: tetrahydroxynaphthalene reductase.Solvent effects on ligand binding to a serine protease.Designing dual inhibitors of Mdm2/MdmX: Unexpected coupling of water with gatekeeper Y100/99.AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking.Evaluation of water displacement energetics in protein binding sites with grid cell theory.
P2860
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P2860
Structure-based design of potent inhibitors of scytalone dehydratase: displacement of a water molecule from the active site
description
1998 nî lūn-bûn
@nan
1998 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
1998 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
1998年の論文
@ja
1998年論文
@yue
1998年論文
@zh-hant
1998年論文
@zh-hk
1998年論文
@zh-mo
1998年論文
@zh-tw
1998年论文
@wuu
name
Structure-based design of pote ...... molecule from the active site
@ast
Structure-based design of pote ...... molecule from the active site
@en
Structure-based design of pote ...... molecule from the active site
@nl
type
label
Structure-based design of pote ...... molecule from the active site
@ast
Structure-based design of pote ...... molecule from the active site
@en
Structure-based design of pote ...... molecule from the active site
@nl
prefLabel
Structure-based design of pote ...... molecule from the active site
@ast
Structure-based design of pote ...... molecule from the active site
@en
Structure-based design of pote ...... molecule from the active site
@nl
P2093
P3181
P356
P1433
P1476
Structure-based design of pote ...... molecule from the active site
@en
P2093
P304
P3181
P356
10.1021/BI981848R
P407
P577
1998-12-22T00:00:00Z