Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals
Author:
Affiliation:
1. Department of Chemistry
2. Department of Molecular and Cellular Physiology
3. Howard Hughes Medical Institute, Chevy Chase, MD 20815-6789, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100506d
Reference81 articles.
1. Polarizable atomic multipole X-ray refinement: application to peptide crystals
2. Polarizable Atomic Multipole X-Ray Refinement: Hydration Geometry and Application to Macromolecules
3. Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations
4. Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation
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