9 search results - page 2 / 2 » SuperDrug: a conformational drug database |
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 ...
JCC
2011
12 years 8 months ago
2011
: Molecular recognition plays a fundamental role in all biological processes, and that is why great efforts have been made to understand and predict protein–ligand interactions. ...
BMCBI
2005
13 years 5 months ago
2005
Background: Currently, the PDB contains approximately 29,000 protein structures comprising over 70,000 experimentally determined three-dimensional structures of over 5,000 differe...
CSB
2004
IEEE
13 years 9 months ago
2004
IEEE
Ascertaining the similarity amongst molecules is a fundamental problem in biology and drug discovery. Since similar molecules tend to have similar biological properties, the notio...