JCAMD
2010
13 years 7 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...
ML
1998
ACM
14 years 3 days 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...
ALGORITHMICA
1999
14 years 4 days ago
1999
Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
JCC
2008
14 years 13 days ago
2008
Abstract: A new drug design method, the multiple field three-dimensional quantitative structure
BMCBI
2006
14 years 15 days ago
2006
Background: A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure information about molecules and reaction...