ISSN:
1573-4951
Keywords:
Docking
;
Conformational analysis
;
FLOG
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Specially expanded databases containing three-dimensional structures are created to enhance the utility of docking methods to find new leads, i.e., active compounds of pharmacological interest. The expansion is based on the automatic generation of a set of maximally dissimilar conformations. The ligand receptor system of methotrexate and dihydrofolate reductase is used to demonstrate the feasibility of creating flexibases and their utility in docking studies.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00123666
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