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OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.
Stroet, Martin; Caron, Bertrand; Engler, Martin S; van der Woning, Jimi; Kauffmann, Aude; van Dijk, Marc; El-Kebir, Mohammed; Visscher, Koen M; Holownia, Josef; Macfarlane, Callum; Bennion, Brian J; Gelpi-Dominguez, Svetlana; Lightstone, Felice C; van der Storm, Tijs; Geerke, Daan P; Mark, Alan E; Klau, Gunnar W.
Afiliação
  • Stroet M; School of Chemistry & Molecular Biosciences, The University of Queensland, Brisbane, QLD, 4072, Australia.
  • Caron B; School of Chemistry & Molecular Biosciences, The University of Queensland, Brisbane, QLD, 4072, Australia.
  • Engler MS; Centrum Wiskunde & Informatica, Science Park 123, 1098 XG, Amsterdam, The Netherlands.
  • van der Woning J; Algorithmic Bioinformatics, Heinrich Heine University Düsseldorf, Universitätsstr. 1, 40225, Düsseldorf, Germany.
  • Kauffmann A; Centrum Wiskunde & Informatica, Science Park 123, 1098 XG, Amsterdam, The Netherlands.
  • van Dijk M; School of Chemistry & Molecular Biosciences, The University of Queensland, Brisbane, QLD, 4072, Australia.
  • El-Kebir M; Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, De Boelelaan 1108, 1081 HZ, Amsterdam, the Netherlands.
  • Visscher KM; Department of Computer Science, University of Illinois at Urbana-Champaign, Urbana, IL, 61801, USA.
  • Holownia J; Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, De Boelelaan 1108, 1081 HZ, Amsterdam, the Netherlands.
  • Macfarlane C; School of Chemistry & Molecular Biosciences, The University of Queensland, Brisbane, QLD, 4072, Australia.
  • Bennion BJ; School of Chemistry & Molecular Biosciences, The University of Queensland, Brisbane, QLD, 4072, Australia.
  • Gelpi-Dominguez S; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA, 94552, USA.
  • Lightstone FC; Department of Chemistry, University of Connecticut, 55 North Eagleville Road, Storrs, CT, 06269, USA.
  • van der Storm T; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA, 94552, USA.
  • Geerke DP; Centrum Wiskunde & Informatica, Science Park 123, 1098 XG, Amsterdam, The Netherlands.
  • Mark AE; Faculty of Science and Engineering, University of Groningen, Nijenborgh 4, 9747 AG, Groningen, The Netherlands.
  • Klau GW; Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, De Boelelaan 1108, 1081 HZ, Amsterdam, the Netherlands.
J Comput Aided Mol Des ; 37(8): 357-371, 2023 08.
Article em En | MEDLINE | ID: mdl-37310542
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Software Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Software Idioma: En Ano de publicação: 2023 Tipo de documento: Article