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Cited by 559

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

Building Force Fields: An Automatic, Systematic, and Reproducible Approach

Open access
Wang, Lee-Ping, Martinez, Todd J., Pande, Vijay S.·2014·The Journal of Physical Chemistry Letters

Abstract

The development of accurate molecular mechanics force fields is a significant challenge that must be addressed for the continued success of molecular simulation. We developed the ForceBalance method to automatically derive accurate force field parameters using flexible combinations of experimental and theoretical reference data. The method is demonstrated in the parametrization of two rigid water models, yielding new parameter sets (TIP3P-FB and TIP4P-FB) that accurately describe many physical properties of water.

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Metadata

Authors
Wang, L.-P., Martinez, T. J., & Pande, V. S.
Venue
The Journal of Physical Chemistry Letters
Published
2014-05-16
Volume
5
Issue
11
Pages
1885-1891
ISSN
1948-7185 (ISSN-L)
OpenAlex
W2039588355
Cited by
559
References
1
FWCI
15.85
Type
journal article
Language
en
Open access
green

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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.