Work

Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals

Year: 2016

Type: article

Abstract: ). Overall, the dual force field thermodynamic corrections reduced condensed phase sampling in the expensive force field by a factor of 40, and may prove useful for protein stability or binding thermodynamics in the future.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/c6cp02595a

Authors: Ian J. Nessler, Jacob M. Litman, Michael J. Schnieders

Institution: University of Iowa

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: National Science Foundation, National Institutes of Health, National Institute on Deafness and Other Communication Disorders, National Institute of General Medical Sciences, Division of Chemistry

Awards: G3952316005, Predoctoral Training Program in Biotechnology, Non-Syndromic Hearing Loss A Collaborative Study

OpenAlex ID: W2508804132

FWCI: 0.945

Cites: 84

Cited by: 12

Related to: 10