JCAMD
2010
13 years 6 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 11 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 11 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 11 months ago
2008
Abstract: A new drug design method, the multiple field three-dimensional quantitative structure
BMCBI
2006
13 years 11 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...