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Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.
Kurkcuoglu, Zeynep; Koukos, Panagiotis I; Citro, Nevia; Trellet, Mikael E; Rodrigues, J P G L M; Moreira, Irina S; Roel-Touris, Jorge; Melquiond, Adrien S J; Geng, Cunliang; Schaarschmidt, Jörg; Xue, Li C; Vangone, Anna; Bonvin, A M J J.
Afiliación
  • Kurkcuoglu Z; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Koukos PI; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Citro N; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Trellet ME; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Rodrigues JPGLM; James H. Clark Center, Stanford University, 318 Campus Drive, S210, Stanford, CA, 94305, USA.
  • Moreira IS; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Roel-Touris J; CNC - Center for Neuroscience and Cell Biology, FMUC, Universidade de Coimbra, Rua Larga, Polo I, 1ºandar, 3004-517, Coimbra, Portugal.
  • Melquiond ASJ; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Geng C; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Schaarschmidt J; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Xue LC; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Vangone A; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
  • Bonvin AMJJ; Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584CH, Utrecht, The Netherlands.
J Comput Aided Mol Des ; 32(1): 175-185, 2018 01.
Article en En | MEDLINE | ID: mdl-28831657
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Programas Informáticos / Receptores Citoplasmáticos y Nucleares / Descubrimiento de Drogas / Simulación del Acoplamiento Molecular Tipo de estudio: Clinical_trials / Prognostic_studies / Risk_factors_studies Límite: Humans Idioma: En Revista: J Comput Aided Mol Des Asunto de la revista: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Año: 2018 Tipo del documento: Article País de afiliación: Países Bajos Pais de publicación: Países Bajos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Programas Informáticos / Receptores Citoplasmáticos y Nucleares / Descubrimiento de Drogas / Simulación del Acoplamiento Molecular Tipo de estudio: Clinical_trials / Prognostic_studies / Risk_factors_studies Límite: Humans Idioma: En Revista: J Comput Aided Mol Des Asunto de la revista: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Año: 2018 Tipo del documento: Article País de afiliación: Países Bajos Pais de publicación: Países Bajos