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

Pierre Matricon, Anirudh Ranganathan, Eugene Warnick, Zhan-Guo Gao, Axel Rudling, Catia Lambertucci, Gabriella Marucci, Aitakin Ezzati, Mariama Jaiteh, Diego Dal Ben, Kenneth A. Jacobson, Jens Carlsson

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DOI: 10.1038/s41598-017-04905-0
Published: 2017-07-25
Container: Scientific Reports
Publisher: Springer Science and Business Media LLC
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1038/s41598-017-04905-0,
  title = {Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A
                2A
               adenosine receptor binding site},
  author = {Pierre Matricon and Anirudh Ranganathan and Eugene Warnick and Zhan-Guo Gao and Axel Rudling and Catia Lambertucci and Gabriella Marucci and Aitakin Ezzati and Mariama Jaiteh and Diego Dal Ben and Kenneth A. Jacobson and Jens Carlsson},
  year = {2017},
  journal = {Scientific Reports},
  doi = {10.1038/s41598-017-04905-0},
  url = {https://doi.org/10.1038/s41598-017-04905-0}
}

RIS

TY  - JOUR
TI  - Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A
                2A
               adenosine receptor binding site
AU  - Pierre Matricon
AU  - Anirudh Ranganathan
AU  - Eugene Warnick
AU  - Zhan-Guo Gao
AU  - Axel Rudling
AU  - Catia Lambertucci
AU  - Gabriella Marucci
AU  - Aitakin Ezzati
AU  - Mariama Jaiteh
AU  - Diego Dal Ben
AU  - Kenneth A. Jacobson
AU  - Jens Carlsson
PY  - 2017
JO  - Scientific Reports
DO  - 10.1038/s41598-017-04905-0
UR  - https://doi.org/10.1038/s41598-017-04905-0
ER  -

APA

Matricon, P., Ranganathan, A., Warnick, E., Gao, Z., Rudling, A., Lambertucci, C., Marucci, G., Ezzati, A., Jaiteh, M., Ben, D. D., Jacobson, K. A., & Carlsson, J. (2017). Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site. Scientific Reports. https://doi.org/10.1038/s41598-017-04905-0

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crossref · retrieved 2026-11-08T09:12:36.440Z