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Acidity Constant (pKa ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods.
De Meyer, Thierry; Ensing, Bernd; Rogge, Sven M J; De Clerck, Karen; Meijer, Evert Jan; Van Speybroeck, Veronique.
Afiliación
  • De Meyer T; Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052, Zwijnaarde, Belgium.
  • Ensing B; Department of Textiles, Ghent University, Technologiepark 907, 9052, Zwijnaarde, Belgium.
  • Rogge SM; Amsterdam Center for Multiscale Modeling and Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098XH, Amsterdam, The Netherlands.
  • De Clerck K; Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052, Zwijnaarde, Belgium.
  • Meijer EJ; Department of Textiles, Ghent University, Technologiepark 907, 9052, Zwijnaarde, Belgium.
  • Van Speybroeck V; Amsterdam Center for Multiscale Modeling and Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098XH, Amsterdam, The Netherlands.
Chemphyschem ; 17(21): 3447-3459, 2016 Nov 04.
Article en En | MEDLINE | ID: mdl-27570194
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Chemphyschem Asunto de la revista: BIOFISICA / QUIMICA Año: 2016 Tipo del documento: Article País de afiliación: Bélgica
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Chemphyschem Asunto de la revista: BIOFISICA / QUIMICA Año: 2016 Tipo del documento: Article País de afiliación: Bélgica