Search Result "in silico molecular modelling"


The Challenges Involved in Modeling Toxicity Data In Silico: A Review

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1266-1291
Author(s): M. Paul Gleeson, Sandeep Modi, Andreas Bender, Richard L. Marchese Robinson, Johannes Kirchmair, Malinee Promkatkaew, Supa Hannongbua, Robert C. Glen

Advancements in Predictive In Silico Models for ADME

Journal: Current Chemical Biology
Volume: 2 Issue: 3 Year: 2008 Page: 215-228
Author(s): Kamaldeep K. Chohan, Stuart W. Paine, Nigel J. Waters

Review Article

Molecular Modeling Approaches for the Prediction of Selected Pharmacokinetic Properties

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 26 Year: 2018 Page: 2230-2238
Author(s): Emilio S. Petito,David J.R. Foster,Michael B. Ward,Matthew J. Sykes

In Silico Modeling and Drug Designing

Ebook: Cutting Edge Techniques in Biophysics, Biochemistry and Cell Biology: From Principle to Applications
Volume: 1 Year: 2019
Author(s): Gauri Misra,Neetu Jabalia
Doi: 10.2174/9789811422867119010009

Molecular Modeling Used to Evaluate CYP2C9-Dependent Metabolism: Homology Modeling, Molecular Dynamics and Docking Simulations

Journal: Current Drug Metabolism
Volume: 12 Issue: 6 Year: 2011 Page: 533-548
Author(s): Jessica E. Mendieta-Wejebe, Jose Correa-Basurto, Erika M. Garcia-Segovia, Gisela Ceballos-Cancino, Martha C. Rosales-Hernandez

In Silico hERG Modeling: Challenges and Progress

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 2 Year: 2009 Page: 106-121
Author(s): David J. Diller

In-Silico ADME Models: A General Assessment of their Utility in Drug Discovery Applications

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 4 Year: 2011 Page: 358-381
Author(s): M. Paul Gleeson, Anne Hersey, Supa Hannongbua

In Silico ADME Prediction: Data Sets and Models

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 4 Year: 2005 Page: 365-376
Author(s): Gonzalo Colmenarejo

Predicting Drug Metabolism Induction In Silico

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 1627-1640
Author(s): Daniela Schuster, Theodora M. Steindl, Thierry Langer

In Silico Modelling of Pesticide Aquatic Toxicity

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 9 Year: 2014 Page: 808-818
Author(s): Snezana Agatonovic-Kustrin,David W. Morton,Slavica Razic

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