AlgoGen: A tool coupling a linear-scaling quantum method with a genetic algorithm for exploring non-covalent interactions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference64 articles.
1. Combining a genetic algorithm with a linear scaling semiempirical method for protein–ligand docking;Thiriot;J. Mol. Struct. Theochem.,2009
2. Third-generation hydrogen-bonding corrections for semiempirical QM methods and force fields;Korth;J. Chem. Theory Comput.,2010
3. A review of protein-small molecule docking methods;Taylor;J. Comput. Aided Mol. Des.,2002
4. A geometric approach to macromolecule-ligand interactions;Kuntz;J. Mol. Biol.,1982
5. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function;Morris;J. Comput. Chem.,1998
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