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A new method for predicting binding affinity in computer-aided drug design

✍ Scribed by Åqvist, Johan; Medina, Carmen; Samuelsson, Jan-Erik

Book ID
111905250
Publisher
Oxford University Press
Year
1994
Tongue
English
Weight
646 KB
Volume
7
Category
Article
ISSN
1741-0126

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This paper describes a computer~program for estimating the amount of unbound or active drug from plasma values for cases in which there is multiple binding of a drug to a macromolecule such as serum albumin. The program is based upon the assumption that two sets of sites on the protein are involved