Fragment optimization for GPCRs by molecular dynamics free...

Scientific Reports 2017 / 12 Vol. 7; Iss. 1

Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site

Matricon, Pierre, Ranganathan, Anirudh, Warnick, Eugene, Gao, Zhan-Guo, Rudling, Axel, Lambertucci, Catia, Marucci, Gabriella, Ezzati, Aitakin, Jaiteh, Mariama, Dal Ben, Diego, Jacobson, Kenneth A., C
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Volume:
7
Language:
english
Journal:
Scientific Reports
DOI:
10.1038/s41598-017-04905-0
Date:
December, 2017
File:
PDF, 2.58 MB
english, 2017
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