First-Principles Molecular Structure Search with a Genetic Algorithm
Author:
Affiliation:
1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany
2. Department of Mechanical Engineering & Materials Science, Duke University, Durham, North Carolina 27708, United States
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00243
Reference81 articles.
1. Conformations and 3D pharmacophore searching
2. A geometric approach to macromolecule-ligand interactions
3. Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
4. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
5. ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics
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