Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis (bibtex)

by Lagarias, Panagiotis, Barkan, Kerry, Tzortzini, Eva, Stampelou, Margarita, Vrontaki, Eleni, Ladds, Graham and Kolocouris, Antonios

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Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis (Lagarias, Panagiotis, Barkan, Kerry, Tzortzini, Eva, Stampelou, Margarita, Vrontaki, Eleni, Ladds, Graham and Kolocouris, Antonios), In Journal of Chemical Information and Modeling, volume 59, 2019.

Bibtex Entry:

@article{doi:10.1021/acs.jcim.9b00751,
        call={pr002},
        acronym={GPCR_CADD_AK_2},
        fulltitle={Computer-Aided Drug Design for Adenosine GPCRs},
        pi={Antonios Kolocouris},
        affiliation={National and Kapodistrian University of Athens},
        researchfield={Biochemistry, Bioinformatics and Life sciences},
author = {Lagarias, Panagiotis and Barkan, Kerry and Tzortzini, Eva and Stampelou, Margarita and Vrontaki, Eleni and Ladds, Graham and Kolocouris, Antonios},
title = {Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis},
journal = {Journal of Chemical Information and Modeling},
volume = {59},
number = {12},
pages = {5183-5197},
year = {2019},
bibyear = {2019},
doi = {10.1021/acs.jcim.9b00751},
URL = {https://doi.org/10.1021/acs.jcim.9b00751},
}