Search Result "In silico based pharmacophore modelling"


Binding Modes and Pharmacophore Modelling of Thermolysin Inhibitors

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 515-533
Author(s): M. T.H. Khan,Y. Wuxiuer,I. Sylte

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

Identification of Novel β3-Adrenoceptor Agonists Using Energetic Analysis, Structure Based Pharmacophores and Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 8 Year: 2012 Page: 623-640
Author(s): Parul Tewatia,B.K. Malik,Shakti Sahi

Computational Tools for In Silico Fragment-Based Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1935-1943
Author(s): Jeremie Mortier,Christin Rakers,Raphael Frederick,Gerhard Wolber

In silico Based Structural Analysis of Some Piperidine Analogs as Farnesyltransferase Inhibitors

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 853-864
Author(s): Narayana Subbiah Hari Narayana Moorthy,Sergio F. Sousa,Maria J. Ramos,Pedro A. Fernandes

Predicting Monoamine Oxidase Inhibitory Activity Through Ligand-Based Models

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 20 Year: 2012 Page: 2258-2274
Author(s): Santiago Vilar,Giulio Ferino,Elias Quezada,Lourdes Santana,Carol Friedman

Physiologically Based Pharmacokinetic Models: Integration of In Silico Approaches with Micro Cell Culture Analogues

Journal: Current Drug Metabolism
Volume: 13 Issue: 6 Year: 2012 Page: 863-880
Author(s): A. Chen, M. L. Yarmush, T. Maguire

Pharmacophore Models and Development of Spirocyclic Ligands for σ1 Receptors

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 7 Year: 2012 Page: 930-937
Author(s): Bernhard Wunsch

From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1217-1239
Author(s): Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny, Shuxing Zhang

Ligand- and Protein-Based Modeling Studies of the Inhibitors of Human Cytochrome P450 2D6 and a Virtual Screening for Potential Inhibitors from the Chinese Herbal Medicine, Scutellaria baicalensis (Huangqin,Baikal Skullcap)

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 1 Year: 2012 Page: 36-80
Author(s): Sui-Lin Mo, Wei-Feng Liu, Yuling Chen, Hai-Bin Luo, Lai-Bao Sun, Xiao-Wu Chen, Zhi-Wei Zhou, Kevin B. Sneed, Chun Guang Li, Yao-Min Du, Jun Liang, Shu-Feng Zhou

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