Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.
about
SwissDock, a protein-small molecule docking web service based on EADock DSSDiscovery of a Non-Peptidic Inhibitor of West Nile Virus NS3 Protease by High-Throughput DockingDocking for fragment inhibitors of AmpC -lactamaseDiscovery of plasmepsin inhibitors by fragment-based docking and consensus scoringDocking screens: right for the right reasons?Molecular mechanisms for Alzheimer's disease: implications for neuroimaging and therapeutics.A double-headed cathepsin B inhibitor devoid of warhead.Inhibition of BACE1 for therapeutic use in Alzheimer's disease.BACE1 (β-secretase) inhibitors for the treatment of Alzheimer's diseaseAdvances and challenges in protein-ligand dockingExploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE).Probing molecular docking in a charged model binding site.Recognition of ribonuclease A by 3'-5'-pyrophosphate-linked dinucleotide inhibitors: a molecular dynamics/continuum electrostatics analysis.Inhibitors of SARS-3CLpro: virtual screening, biological evaluation, and molecular dynamics simulation studies.Recent progress in the drug discovery of non-peptidic BACE1 inhibitors.Advances in the identification of β-secretase inhibitors.Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property.Discovery of Rho-kinase inhibitors by docking-based virtual screening.In vitro inhibition of translation initiation by N,N'-diarylureas--potential anti-cancer agents.Creation of Novel Cores for β-Secretase (BACE-1) Inhibitors: A Multiparameter Lead Generation Strategy.Electrostatics of ligand binding: parametrization of the generalized Born model and comparison with the Poisson-Boltzmann approachFragment-based virtual screening approach and molecular dynamics simulation studies for identification of BACE1 inhibitor leads.Structure-guided design of β-secretase (BACE-1) inhibitors.SkelGen: a general tool for structure-based de novo ligand design.
P2860
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P2860
Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.
description
2005 nî lūn-bûn
@nan
2005 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Discovery of cell-permeable no ...... m electrostatics calculations.
@ast
Discovery of cell-permeable no ...... m electrostatics calculations.
@en
type
label
Discovery of cell-permeable no ...... m electrostatics calculations.
@ast
Discovery of cell-permeable no ...... m electrostatics calculations.
@en
prefLabel
Discovery of cell-permeable no ...... m electrostatics calculations.
@ast
Discovery of cell-permeable no ...... m electrostatics calculations.
@en
P2093
P356
P1476
Discovery of cell-permeable no ...... m electrostatics calculations.
@en
P2093
Alcide Barberis
Amedeo Caflisch
Danzhi Huang
Karin Edler
Stephan Audetat
P304
P356
10.1021/JM050499D
P407
P577
2005-08-01T00:00:00Z