Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?

Ballester, Pedro J; Schreyer, Adrian; Blundell, Tom

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Authors

Ballester, Pedro J

Schreyer, Adrian

Blundell, Tom

Publication Date

2014-03

Journal Title

Journal of chemical information and modeling

ISSN

1549-9596

Volume

Issue

Pages

944-955

Language

eng

Type

Article

This Version

Physical Medium

Print-Electronic

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Citation

Ballester, P. J., Schreyer, A., & Blundell, T. (2014). Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?. Journal of chemical information and modeling, 54 (3), 944-955. https://doi.org/10.1021/ci500091r

Keywords

Proteins, Ligands, Computational Biology, Protein Conformation, Protein Binding, Models, Biological, Models, Molecular, Artificial Intelligence, Databases, Protein

Identifiers

External DOI: https://doi.org/10.1021/ci500091r

This record's URL: https://www.repository.cam.ac.uk/handle/1810/319596