Optimization of Empirical Force Fields by Parameter Space...

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Journal of Chemical Theory and Computation 2017 / 11

Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation Approach

Stroet, Martin, Koziara, Katarzyna B., Malde, Alpeshkumar K., Mark, Alan E.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00800
Date:
November, 2017
File:
PDF, 1.49 MB
english, 2017
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