Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields.
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| Title: | Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields. |
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| Authors: | McDonagh JL; IBM Research U.K. , Hartree Centre, Daresbury WA4 4AD , United Kingdom., Shkurti A; STFC Daresbury Laboratories , Daresbury WA4 4AD , United Kingdom., Bray DJ; STFC Daresbury Laboratories , Daresbury WA4 4AD , United Kingdom., Anderson RL; STFC Daresbury Laboratories , Daresbury WA4 4AD , United Kingdom., Pyzer-Knapp EO; IBM Research U.K. , Hartree Centre, Daresbury WA4 4AD , United Kingdom. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2019 Oct 28; Vol. 59 (10), pp. 4278-4288. Date of Electronic Publication: 2019 Sep 27. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1549-960X |
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| DOI: | 10.1021/acs.jcim.9b00646 |
