Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition
Author:
Affiliation:
1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
Funder
National Science Foundation (NSF)
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4889855
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1. Nature of Intercalator Amiloride−Nucelobase Stacking. An Empirical Potential and ab Initio Electron Correlation Study
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3. Physical Nature of Ethidium and Proflavine Interactions with Nucleic Acid Bases in the Intercalation Plane
4. Predicting Absolute Ligand Binding Free Energies to a Simple Model Site
5. Local electron correlation descriptions of the intermolecular stacking interactions between aromatic intercalators and nucleic acids
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