How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
Author:
Affiliation:
1. Institute of Cognitive and Computational Science and Lombardi Cancer Center, Departments of Oncology and Neuroscience, Georgetown University Medical Center, 4000 Reservoir Road, Washington, D.C. 20007
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci010025x
Reference16 articles.
1. Virtual screening—an overview
2. Drug Discovery: A Historical Perspective
3. A geometric approach to macromolecule-ligand interactions
4. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
5. Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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