31 search results - page 2 / 7 » Docking small ligands in flexible binding sites |
BMCBI
2006
13 years 5 months ago
2006
Background: Accurate small molecule binding site information for a protein can facilitate studies in drug docking, drug discovery and function prediction, but small molecule bindi...
CSB
2005
IEEE
13 years 11 months ago
2005
IEEE
The molecular docking problem is to determine how molecules interact with other molecules and plays a key role in understanding how cells function. DockingShop is an integrated en...
GECCO
2003
Springer
13 years 10 months 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...
JCC
2011
12 years 8 months ago
2011
: Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in the binding site of a protein as well as for the ...
BMCBI
2007
13 years 5 months ago
2007
Background: An accurate description of protein shape derived from protein structure is necessary to establish an understanding of protein-ligand interactions, which in turn will l...