29 search results - page 1 / 6 » A Comparison of Global and Local Search Methods in Drug Dock... |
ICGA
1997
13 years 8 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 ...
GECCO
2003
Springer
14 years 19 days ago
2003
Springer
We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the G...
GECCO
2004
Springer
14 years 25 days ago
2004
Springer
We have developed a new tool for virtual database screening. This tool, referred to as the Generic Evolutionary Method for molecular DOCKing (GEMDOCK), combines an evolutionary app...
BMCBI
2010
13 years 7 months ago
2010
Background: A relevant problem in drug design is the comparison and recognition of protein binding sites. Binding sites recognition is generally based on geometry often combined w...
BMCBI
2010
13 years 7 months ago
2010
Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...