31 search results - page 1 / 7 » Docking small ligands in flexible binding sites |
JCC
1998
13 years 4 months ago
1998
: A novel procedure for docking ligands in a flexible binding site is presented. It relies on conjugate gradient minimization, during which nonbonded interactions are gradually swi...
PRIB
2009
Springer
13 years 11 months ago
2009
Springer
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling. We present a knowledge-guided approach for docking protein dom...
JCAMD
2010
12 years 11 months ago
2010
Docking of small molecule compounds into the binding site of a receptor and estimating the binding affinity of the complex is an important part of the structurebased drug design pr...
BIBE
2010
IEEE
13 years 6 months ago
2010
IEEE
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling and regulation. In this work, we applied a three-stage knowledg...
BMCBI
2008
13 years 5 months ago
2008
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...