Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method
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Analysis of structure and function of the giant protein Pf332 in Plasmodium falciparumValidating CHARMM parameters and exploring charge distribution rules in structure-based drug designThe role of aspartic acid 143 in E. coli tRNA-guanine transglycosylase: insights from mutagenesis studies and computational modeling.Multi-Site λ-dynamics for simulated Structure-Activity Relationship studies(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyl-dithio-carbamate.Molecular mechanics methods for predicting protein-ligand binding.Predictions of enzymatic parameters: a mini-review with focus on enzymes for biofuel.Computer-aided discovery of anti-HIV agents.Theoretical studies of energetics and binding isotope effects of binding a triazole-based inhibitor to HIV-1 reverse transcriptase.1,5-Dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.Minimalist explicit solvation models for surface loops in proteins.Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations.Synthesis and anticonvulsant activity of various mannich and schiff bases of 1,5-benzodiazepines.Contributions to the binding free energy of ligands to avidin and streptavidin.Docking of non-nucleoside inhibitors: neotripterifordin and its derivatives to HIV-1 reverse transcriptase.HIV-1 reverse transcriptase variants: molecular modeling of Y181C, V106A, L100I, and K103N mutations with nonnucleoside inhibitors using Monte Carlo simulations in combination with a linear response method.Molecular modeling of sulfoxaflor and neonicotinoid binding in insect nicotinic acetylcholine receptors: impact of the Myzus β1 R81T mutation.The role of hydrogen bonds in protein-ligand interactions. DFT calculations in 1,3-dihydrobenzimidazole-2 thione derivatives with glycinamide as model HIV RT inhibitorsA Simple and Advantageous Synthesis of the Privileged 1,4-Benzodiazepine Nucleus
P2860
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P2860
Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method
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
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@ast
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@en
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@nl
type
label
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@ast
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@en
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@nl
prefLabel
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@ast
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@en
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@nl
P2093
P356
P1476
Prediction of Binding Affiniti ...... ns in a Linear Response Method
@en
P2093
Christopher J. Michejda
Julian Tirado-Rives
Marilyn B. Kroeger Smith
Michelle L. Lamb
Paul A. J. Janssen
Richard H. Smith,
P304
P356
10.1021/JM9804174
P407
P577
1998-12-01T00:00:00Z