Computation of host–guest binding free energies with a new quantum mechanics based mining minima algorithm
Author:
Affiliation:
1. Department of Chemistry, Iowa State University, Ames, Iowa 50014, USA
2. Department of Chemistry, University of Colorado Denver, Denver, Colorado 80204, USA
3. VeraChem LLC, 12850 Middlebrook Rd. Ste 205, Germantown, Maryland 20874-5244, USA
Funder
National Institute of General Medical Sciences
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0040759
Reference105 articles.
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5. Complexation Thermodynamics of Cyclodextrins
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