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D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
Gathiaka, Symon; Liu, Shuai; Chiu, Michael; Yang, Huanwang; Stuckey, Jeanne A; Kang, You Na; Delproposto, Jim; Kubish, Ginger; Dunbar, James B; Carlson, Heather A; Burley, Stephen K; Walters, W Patrick; Amaro, Rommie E; Feher, Victoria A; Gilson, Michael K.
Afiliação
  • Gathiaka S; Drug Design Data Resource, Center for Research in Biological Systems, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.
  • Liu S; Drug Design Data Resource, Center for Research in Biological Systems, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.
  • Chiu M; Drug Design Data Resource, Center for Research in Biological Systems, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.
  • Yang H; RCSB Protein Data Bank, Center for Integrative Proteomics Research, Institute for Quantitative Biomedicine, Department Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 174 Frelinghuysen Road, Piscataway, NJ, 08854, USA.
  • Stuckey JA; Center for Structural Biology, Life Sciences Institute, University of Michigan, 210 Washtenaw Avenue, Ann Arbor, MI, 48109-2216, USA.
  • Kang YN; Center for Structural Biology, Life Sciences Institute, University of Michigan, 210 Washtenaw Avenue, Ann Arbor, MI, 48109-2216, USA.
  • Delproposto J; Center for Structural Biology, Life Sciences Institute, University of Michigan, 210 Washtenaw Avenue, Ann Arbor, MI, 48109-2216, USA.
  • Kubish G; Center for Structural Biology, Life Sciences Institute, University of Michigan, 210 Washtenaw Avenue, Ann Arbor, MI, 48109-2216, USA.
  • Dunbar JB; Department of Medicinal Chemistry, University of Michigan, 428 Church St., Ann Arbor, MI, 48109-1065, USA.
  • Carlson HA; Department of Medicinal Chemistry, University of Michigan, 428 Church St., Ann Arbor, MI, 48109-1065, USA.
  • Burley SK; RCSB Protein Data Bank, Center for Integrative Proteomics Research, Institute for Quantitative Biomedicine, Department Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 174 Frelinghuysen Road, Piscataway, NJ, 08854, USA.
  • Walters WP; Department of Pharmacy, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.
  • Amaro RE; San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.
  • Feher VA; Relay Therapeutics, 215 First St, Cambridge, MA, 20142, USA.
  • Gilson MK; Drug Design Data Resource, Center for Research in Biological Systems, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA. drugdesigndata@gmail.com.
J Comput Aided Mol Des ; 30(9): 651-668, 2016 09.
Article em En | MEDLINE | ID: mdl-27696240
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Desenho de Fármacos / Proteínas de Choque Térmico HSP90 / Simulação de Acoplamento Molecular Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Comput Aided Mol Des Ano de publicação: 2016 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Desenho de Fármacos / Proteínas de Choque Térmico HSP90 / Simulação de Acoplamento Molecular Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Comput Aided Mol Des Ano de publicação: 2016 Tipo de documento: Article