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Investigating Cryptic Binding Sites by Molecular Dynamics Simulations

Published:2020-03-05 Issue:3 Volume:53 Page:654-661
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Kuzmanic Antonija¹^ORCID,Bowman Gregory R.²,Juarez-Jimenez Jordi³,Michel Julien³^ORCID,Gervasio Francesco L.¹⁴^ORCID

Affiliation:

1. Department of Chemistry and Institute of Structural and Molecular Biology, University College London, London WC1E 0AJ, United Kingdom

2. Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri 63110, United States

3. EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh EH9 9FJ, United Kingdom

4. Pharmaceutical Sciences, University of Geneva, Geneva 1211, Switzerland

Funder

Engineering and Physical Sciences Research Council

Division of Molecular and Cellular Biosciences

David and Lucile Packard Foundation

H2020 Future and Emerging Technologies

Burroughs Wellcome Fund

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.9b00613

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