A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set.
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| Title: | A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set. |
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| Authors: | Horta BA; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland.; Instituto de Química, Universidade Federal do Rio de Janeiro , Rio de Janeiro 21941-909, Brazil., Merz PT; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland., Fuchs PF; Institut Jacques Monod, UMR 7592 CNRS, Université Paris-Diderot, Sorbonne Paris Cité , F-75205 Paris, France., Dolenc J; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland.; Chemistry, Biology and Pharmacy Information Center, ETH Zürich , CH-8093 Zürich, Switzerland., Riniker S; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland., Hünenberger PH; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland. |
| Source: | Journal of chemical theory and computation [J Chem Theory Comput] 2016 Aug 09; Vol. 12 (8), pp. 3825-50. Date of Electronic Publication: 2016 Jul 08. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1549-9626 |
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| DOI: | 10.1021/acs.jctc.6b00187 |
