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» Virtual screening of GPCRs: An in silico chemogenomics appro...
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BMCBI
2008
118views more  BMCBI 2008»
13 years 4 months ago
Virtual screening of GPCRs: An in silico chemogenomics approach
The G-protein coupled receptor (GPCR) superfamily is currently the largest class of therapeutic targets. In silico prediction of interactions between GPCRs and small molecules is ...
Laurent Jacob, Brice Hoffmann, Véronique St...
GPC
2008
Springer
13 years 5 months ago
The Development of a Drug Discovery Virtual Screening Application on Taiwan Unigrid
This paper describes the development of an in silico virtual screening application on Taiwan Unigrid. In silico virtual screening is one of the most promising approach to accelerat...
Li-Yung Ho, Pangfeng Liu, Chien-Min Wang, Jan-Jan ...
BMCBI
2008
155views more  BMCBI 2008»
13 years 4 months ago
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno ...
BMCBI
2008
133views more  BMCBI 2008»
13 years 4 months ago
MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening
Background: The number of protein targets with a known or predicted tri-dimensional structure and of drug-like chemical compounds is growing rapidly and so is the need for new the...
Nicolas Sauton, David Lagorce, Bruno O. Villoutrei...
BMCBI
2008
130views more  BMCBI 2008»
13 years 4 months ago
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects
Background: Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing awareness about the importance of pred...
David Lagorce, Olivier Sperandio, Hervé Gal...