View in EDS

A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set.

Saved in:
Bibliographic Details
Title: A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set.
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
FullText Text:
  Availability: 0
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 27248705
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Horta+BA%22">Horta BA</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Merz+PT%22">Merz PT</searchLink>; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland.<br /><searchLink fieldCode="AU" term="%22Fuchs+PF%22">Fuchs PF</searchLink>; Institut Jacques Monod, UMR 7592 CNRS, Université Paris-Diderot, Sorbonne Paris Cité , F-75205 Paris, France.<br /><searchLink fieldCode="AU" term="%22Dolenc+J%22">Dolenc J</searchLink>; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland.; Chemistry, Biology and Pharmacy Information Center, ETH Zürich , CH-8093 Zürich, Switzerland.<br /><searchLink fieldCode="AU" term="%22Riniker+S%22">Riniker S</searchLink>; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland.<br /><searchLink fieldCode="AU" term="%22Hünenberger+PH%22">Hünenberger PH</searchLink>; Laboratory of Physical Chemistry, ETH Zürich , CH-8093 Zürich, Switzerland.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22101232704%22">Journal of chemical theory and computation</searchLink> [J Chem Theory Comput] 2016 Aug 09; Vol. 12 (8), pp. 3825-50. <i>Date of Electronic Publication: </i>2016 Jul 08.
– Name: TypePub
  Label: Publication Type
  Group: TypPub
  Data: Journal Article
– Name: TitleSource
  Label: Journal Info
  Group: Src
  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>101232704 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-9626 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499618%22">15499618 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Theory Comput <i>Subsets: </i>PubMed not MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=27248705
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1021/acs.jctc.6b00187
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: 3825
    Titles:
      – TitleFull: A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Horta BA
      – PersonEntity:
          Name:
            NameFull: Merz PT
      – PersonEntity:
          Name:
            NameFull: Fuchs PF
      – PersonEntity:
          Name:
            NameFull: Dolenc J
      – PersonEntity:
          Name:
            NameFull: Riniker S
      – PersonEntity:
          Name:
            NameFull: Hünenberger PH
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 09
              M: 08
              Text: 2016 Aug 09
              Type: published
              Y: 2016
          Identifiers:
            – Type: issn-electronic
              Value: 1549-9626
          Numbering:
            – Type: volume
              Value: 12
            – Type: issue
              Value: 8
          Titles:
            – TitleFull: Journal of chemical theory and computation
              Type: main
ResultId 1