6010 search results - page 5 / 1202 » Computational Approaches to Drug Design |
GPC
2008
Springer
13 years 8 months ago
2008
Springer
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...
ICGA
1997
13 years 9 months ago
1997
Molecular docking software makes computational predictions of the interaction of molecules. This can be useful, for example, in evaluating the binding of candidate drug molecules ...
COMPLIFE
2006
Springer
13 years 11 months ago
2006
Springer
Abstract. Molecular shapes play an important role in molecular interactions, e.g., between a protein and a ligand. The `outer' shape of a molecule can be approximated by its s...
BMCBI
2010
13 years 7 months ago
2010
Background: Leishmaniasis is a virulent parasitic infection that causes a worldwide disease burden. Most treatments have toxic side-effects and efficacy has decreased due to the e...
CIKM
2009
Springer
14 years 2 months ago
2009
Springer
Given a drug under development, what are other drugs or biochemical compounds that it might interact with? Early answers to this question, by mining the literature, are valuable f...