Flexibases: A way to enhance the use of molecular docking methods View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1994-10

AUTHORS

Simon K. Kearsley, Dennis J. Underwood, Robert P. Sheridan, Michael D. Miller

ABSTRACT

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. More... »

PAGES

565-582

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00123666

DOI

http://dx.doi.org/10.1007/bf00123666

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1031821059

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/7876901


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