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...
ML
1998
ACM
13 years 4 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...
ALGORITHMICA
1999
13 years 4 months 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
13 years 4 months ago
2008
Abstract: A new drug design method, the multiple field three-dimensional quantitative structure
BMCBI
2006
13 years 4 months 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...