Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring
about
Small Molecule Subgraph Detector (SMSD) toolkitComputational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisPrediction of the water content in protein binding sitesFrom docking false-positive to active anti-HIV agent.Discovery of wild-type and Y181C mutant non-nucleoside HIV-1 reverse transcriptase inhibitors using virtual screening with multiple protein structures.Antiprion compounds that reduce PrP(Sc) levels in dividing and stationary-phase cells.Identification of HIV inhibitors guided by free energy perturbation calculations.Rational prediction with molecular dynamics for hit identificationIdentification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual Screening.Optimization of azoles as anti-human immunodeficiency virus agents guided by free-energy calculations.Efficient drug lead discovery and optimization.Energetics of displacing water molecules from protein binding sites: consequences for ligand optimizationDiscovery of novel inhibitors of HIV-1 reverse transcriptase through virtual screening of experimental and theoretical ensembles.Ligand-based virtual screening under partial shape constraints.Computer-aided discovery of anti-HIV agents.Molecular modelling and competition binding study of Br-noscapine and colchicine provide insight into noscapinoid-tubulin binding siteAccuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding.Protease activated receptor-2 (PAR2): possible target of phytochemicals.Application of 3D-QSAR, Pharmacophore, and Molecular Docking in the Molecular Design of Diarylpyrimidine Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors.
P2860
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P2860
Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring
description
2007 nî lūn-bûn
@nan
2007 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@ast
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@en
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring.
@nl
type
label
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@ast
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@en
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring.
@nl
prefLabel
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@ast
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@en
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring.
@nl
P2093
P2860
P356
P1476
Search for non-nucleoside inhi ...... docking, and MM-GB/SA scoring
@en
P2093
Cristiano R W Guimarães
Gabriela Barreiro
Ivan Tubert-Brohman
Julian Tirado-Rives
Theresa M Lyons
P2860
P304
P356
10.1021/CI700271Z
P577
2007-10-20T00:00:00Z