Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins-Reference-Cited by-同舟云学术

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

Published:2018-08-20 Issue:9 Volume:58 Page:1870-1888
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Giblin Kathryn A.¹^ORCID,Hughes Samantha J.²,Boyd Helen³,Hansson Pia³,Bender Andreas¹^ORCID

Affiliation:

1. Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.

2. Computational Chemistry, Oncology, IMED Biotech Unit, AstraZeneca, Cambridge CB10 1XL, U.K.

3. Discovery Biology, Discovery Sciences, IMED Biotech Unit, AstraZeneca, Gothenburg 431 50 SE, Sweden

Funder

AstraZeneca

European Commission

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00400

Reference92 articles.

1. The bromodomain: From epigenome reader to druggable target

2. Bromodomains as therapeutic targets

3. The Role of Bromodomain Proteins in Regulating Gene Expression

4. Bromodomains: Structure, function and pharmacology of inhibition

5. Small-Molecule Inhibitors of Protein-Protein Interactions: Progressing toward the Reality

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1. To Bind or Not to Bind? A Comprehensive Characterization of TIR1 and Auxins Using Consensus In Silico Approaches;Computation;2024-05-09

2. Proteochemometric (PCM) Modelling: A Machine Learning Technique for Drug Designing;Research Journal of Pharmacy and Technology;2024-03-31

3. An industrial evaluation of proteochemometric modelling: Predicting drug-target affinities for kinases;Artificial Intelligence in the Life Sciences;2023-12

4. Evaluation guidelines for machine learning tools in the chemical sciences;Nature Reviews Chemistry;2022-05-24

5. Proteochemometrics modeling for prediction of the interactions between caspase isoforms and their inhibitors;Molecular Diversity;2022-04-19

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