Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins.

Giblin, Kathryn A; Hughes, Samantha J; Boyd, Helen; Hansson, Pia; Bender, Andreas

Giblin, Kathryn A; Hughes, Samantha J; Boyd, Helen; Hansson, Pia; Bender, Andreas.

Affiliation

Giblin KA; Centre for Molecular Informatics, Department of Chemistry , University of Cambridge , Lensfield Road , Cambridge CB2 1EW , U.K.
Hughes SJ; Computational Chemistry, Oncology, IMED Biotech Unit , AstraZeneca , Cambridge CB10 1XL , U.K.
Boyd H; Discovery Biology, Discovery Sciences, IMED Biotech Unit , AstraZeneca , Gothenburg 431 50 SE, Sweden.
Hansson P; Discovery Biology, Discovery Sciences, IMED Biotech Unit , AstraZeneca , Gothenburg 431 50 SE, Sweden.
Bender A; Centre for Molecular Informatics, Department of Chemistry , University of Cambridge , Lensfield Road , Cambridge CB2 1EW , U.K.

J Chem Inf Model ; 58(9): 1870-1888, 2018 09 24.

Article in En | MEDLINE | ID: mdl-30125501

Subject(s)

Models, Chemical; Nuclear Proteins/metabolism; Binding Sites; Computer Simulation; Drug Discovery; Humans; Models, Molecular; Nuclear Proteins/chemistry; Protein Binding; Protein Conformation; Quantitative Structure-Activity Relationship; Reproducibility of Results

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Nuclear Proteins / Models, Chemical Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2018 Document type: Article Affiliation country: United kingdom Country of publication: United States

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google