Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction.
about
Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary DiseasesTales from the war on error: the art and science of curating QSAR data.Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L BromodomainsHow Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence.Developing imidazole analogues as potential inhibitor for Leishmania donovani trypanothione reductase: virtual screening, molecular docking, dynamics and ADMET approach.Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation.High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling.Evaluating In Vitro-In Vivo Extrapolation of Toxicokinetics.Predicting mammalian metabolism and toxicity of pesticides in silico
P2860
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P2860
Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction.
description
2014 nî lūn-bûn
@nan
2014 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
name
Best of both worlds: combining ...... rove in Silico pKa prediction.
@ast
Best of both worlds: combining ...... rove in Silico pKa prediction.
@en
type
label
Best of both worlds: combining ...... rove in Silico pKa prediction.
@ast
Best of both worlds: combining ...... rove in Silico pKa prediction.
@en
prefLabel
Best of both worlds: combining ...... rove in Silico pKa prediction.
@ast
Best of both worlds: combining ...... rove in Silico pKa prediction.
@en
P2093
P356
P1476
Best of both worlds: combining ...... rove in Silico pKa prediction.
@en
P2093
Alexander Hillisch
Andreas H Göller
Mario Lobell
Robert D Clark
Robert Fraczkiewicz
Rolf Schoenneis
Ursula Krenz
P304
P356
10.1021/CI500585W
P577
2014-12-16T00:00:00Z