Binding Energy Distribution Analysis Method (BEDAM) for Estimation of Protein−Ligand Binding Affinities
Author:
Affiliation:
1. BioMaPS Institute for Quantitative Biology and Department of Chemistry and Chemical Biology, Rutgers the State University of New Jersey, Piscataway, New Jersey 08854
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct1002913
Reference84 articles.
1. The Many Roles of Computation in Drug Discovery
2. Computational evaluation of protein–small molecule binding
3. Molecular Recognition and Docking Algorithms
4. Virtual screening strategies in drug discovery
5. Virtual screening of chemical libraries
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