16 search results - page 2 / 4 » Assessment of programs for ligand binding affinity predictio... |
JCC
2011
12 years 10 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
2008
13 years 7 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...
BMCBI
2006
13 years 7 months ago
2006
Background: When accurate models for the divergent evolution of protein sequences are integrated with complementary biological information, such as folded protein structures, anal...
BMCBI
2007
13 years 7 months ago
2007
Background: Peptides are important molecules with diverse biological functions and biomedical uses. To date, there does not exist a single, searchable archive for peptide sequence...
ML
1998
ACM
13 years 7 months ago
1998
ACM
This paper is a case study of a machine aided knowledge discovery process within the general area of drug design. More speci cally, the paper describes a sequence of experiments in...