A Theoretical Databank of Transferable Aspherical Atoms and Its Application to Electrostatic Interaction Energy Calculations of Macromolecules
Author:
Affiliation:
1. Department of Chemistry, State University of New York at Buffalo, New York 14260
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct6001994
Reference44 articles.
1. Combination of the exact potential and multipole methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representation of molecular electron densities
2. On Building a Data Bank of Transferable Experimental Electron Density Parameters Applicable to Polypeptides
3. A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules
4. Response to the paperA comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004)
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