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First Principles-Based Calculations of Free Energy of Binding: Application to Ligand Binding in a Self-Assembling Superstructure.
Fox, Stephen; Wallnoefer, Hannes G; Fox, Thomas; Tautermann, Christofer S; Skylaris, Chris-Kriton.
Afiliación
  • Fox S; School of Chemistry, University of Southampton , Southampton, Hampshire SO17 1BJ, United Kingdom.
  • Wallnoefer HG; Department for Lead Identification and Optimization Support, Boehringer Ingelheim Pharma GmbH & Co KG , 88397 Biberach, Germany.
  • Fox T; Department for Lead Identification and Optimization Support, Boehringer Ingelheim Pharma GmbH & Co KG , 88397 Biberach, Germany.
  • Tautermann CS; Department for Lead Identification and Optimization Support, Boehringer Ingelheim Pharma GmbH & Co KG , 88397 Biberach, Germany.
  • Skylaris CK; School of Chemistry, University of Southampton , Southampton, Hampshire SO17 1BJ, United Kingdom.
J Chem Theory Comput ; 7(4): 1102-8, 2011 Apr 12.
Article en En | MEDLINE | ID: mdl-26606358

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Theory Comput Año: 2011 Tipo del documento: Article País de afiliación: Reino Unido

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Theory Comput Año: 2011 Tipo del documento: Article País de afiliación: Reino Unido