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NAMD goes quantum: an integrative suite for hybrid simulations.
Melo, Marcelo C R; Bernardi, Rafael C; Rudack, Till; Scheurer, Maximilian; Riplinger, Christoph; Phillips, James C; Maia, Julio D C; Rocha, Gerd B; Ribeiro, João V; Stone, John E; Neese, Frank; Schulten, Klaus; Luthey-Schulten, Zaida.
Afiliação
  • Melo MCR; NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
  • Bernardi RC; Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
  • Rudack T; NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
  • Scheurer M; NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
  • Riplinger C; Department of Biophysics, Ruhr-University Bochum, Bochum, Germany.
  • Phillips JC; Biochemistry Center, Heidelberg University, Heidelberg, Germany.
  • Maia JDC; Interdisciplinary Center for Scientific Computing, Heidelberg, Germany.
  • Rocha GB; FAccTs GmbH, Köln, Germany.
  • Ribeiro JV; NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
  • Stone JE; Center for Informatics, Federal University of Paraíba, João Pessoa, Brazil.
  • Neese F; Department of Chemistry, Federal University of Paraíba, João Pessoa, Brazil.
  • Schulten K; NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
  • Luthey-Schulten Z; NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
Nat Methods ; 15(5): 351-354, 2018 05.
Article em En | MEDLINE | ID: mdl-29578535
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Teoria Quântica / Simulação por Computador / Software / Modelos Biológicos / Modelos Químicos Idioma: En Revista: Nat Methods Ano de publicação: 2018 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Teoria Quântica / Simulação por Computador / Software / Modelos Biológicos / Modelos Químicos Idioma: En Revista: Nat Methods Ano de publicação: 2018 Tipo de documento: Article