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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.
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
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PubType: Academic Journal
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  Data: Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields.
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  Data: <searchLink fieldCode="AU" term="%22McDonagh+JL%22">McDonagh JL</searchLink>; IBM Research U.K. , Hartree Centre, Daresbury WA4 4AD , United Kingdom.<br /><searchLink fieldCode="AU" term="%22Shkurti+A%22">Shkurti A</searchLink>; STFC Daresbury Laboratories , Daresbury WA4 4AD , United Kingdom.<br /><searchLink fieldCode="AU" term="%22Bray+DJ%22">Bray DJ</searchLink>; STFC Daresbury Laboratories , Daresbury WA4 4AD , United Kingdom.<br /><searchLink fieldCode="AU" term="%22Anderson+RL%22">Anderson RL</searchLink>; STFC Daresbury Laboratories , Daresbury WA4 4AD , United Kingdom.<br /><searchLink fieldCode="AU" term="%22Pyzer-Knapp+EO%22">Pyzer-Knapp EO</searchLink>; IBM Research U.K. , Hartree Centre, Daresbury WA4 4AD , United Kingdom.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2019 Oct 28; Vol. 59 (10), pp. 4278-4288. <i>Date of Electronic Publication: </i>2019 Sep 27.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.9b00646
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      – Code: eng
        Text: English
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              Text: 2019 Oct 28
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