Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials
Author:
Affiliation:
1. Department of Chemical Engineering, University of Virginia, Charlottesville, Virginia 22904, United States
2. Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States
Funder
Division of Graduate Education
Division of Chemical, Bioengineering, Environmental, and Transport Systems
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00397
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1. Dealing with the Impact of Ritonavir Polymorphs on the Late Stages of Bulk Drug Process Development
2. Rotigotine: The first new chemical entity for transdermal drug delivery
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4. On the Polymorphism of Aspirin: Crystalline Aspirin as Intergrowths of Two “Polymorphic” Domains
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