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Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design.
Curran, Peter R; Radoux, Chris J; Smilova, Mihaela D; Sykes, Richard A; Higueruelo, Alicia P; Bradley, Anthony R; Marsden, Brian D; Spring, David R; Blundell, Tom L; Leach, Andrew R; Pitt, William R; Cole, Jason C.
Afiliación
  • Curran PR; The Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge, CB2 1EZ, U.K.
  • Radoux CJ; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.
  • Smilova MD; Exscientia Ltd. 36 St. Giles', Oxford, OX1 3LD, U.K.
  • Sykes RA; Structural Genomic Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Roosevelt Drive, Headington, Oxford, OX3 7DQ, U.K.
  • Higueruelo AP; The Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge, CB2 1EZ, U.K.
  • Bradley AR; The Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge, CB2 1EZ, U.K.
  • Marsden BD; Exscientia Ltd. 36 St. Giles', Oxford, OX1 3LD, U.K.
  • Spring DR; Structural Genomic Consortium (SGC), Nuffield Department of Medicine, University of Oxford, Roosevelt Drive, Headington, Oxford, OX3 7DQ, U.K.
  • Blundell TL; Kennedy Institute of Rheumatology, NDORMS, University of Oxford, Headington, Oxford, OX3 7FY, U.K.
  • Leach AR; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.
  • Pitt WR; Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge, CB2 1GA, U.K.
  • Cole JC; Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge, CB10 1SD, U.K.
J Chem Inf Model ; 60(4): 1911-1916, 2020 04 27.
Article en En | MEDLINE | ID: mdl-32207937
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Programas Informáticos / Diseño de Fármacos Tipo de estudio: Diagnostic_studies / Qualitative_research Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Reino Unido
Texto completo
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XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Programas Informáticos / Diseño de Fármacos Tipo de estudio: Diagnostic_studies / Qualitative_research Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Reino Unido