Publications

Project Acronym: CADD_AKPL
Title: Computer-Aided Drug Design for Adenosine GPCRs
Affiliation: national and kapodistrian university of athens
Pi: Antonios Kolocouris
Research Field: biochemistry, bioinformatics and life sciences

Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode
by Lagarias, Panagiotis, Vrontaki, Eleni, Lambrinidis, George, Stamatis, Dimitrios, Convertino, Marino, Ortore, Gabriella, Mavromoustakos, Thomas, Klotz, Karl-Norbert and Kolocouris, Antonios
Reference:
Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode (Lagarias, Panagiotis, Vrontaki, Eleni, Lambrinidis, George, Stamatis, Dimitrios, Convertino, Marino, Ortore, Gabriella, Mavromoustakos, Thomas, Klotz, Karl-Norbert and Kolocouris, Antonios), In Journal of Chemical Information and Modeling, volume 58, 2018.
Bibtex Entry:
@article{doi:10.1021-acs.jcim.7b00455,
 author = {Lagarias, Panagiotis and Vrontaki, Eleni and Lambrinidis, George and Stamatis, Dimitrios and Convertino, Marino and Ortore, Gabriella and Mavromoustakos, Thomas and Klotz, Karl-Norbert and Kolocouris, Antonios},
 title = {Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode},
 journal = {Journal of Chemical Information and Modeling},
 volume = {58},
 number = {4},
 pages = {794-815},
 year = {2018},
 bibyear = {2018},
 doi = {10.1021/acs.jcim.7b00455},
 note = {PMID: 29485875},
 url = {https://doi.org/10.1021/acs.jcim.7b00455},
 eprint = {https://doi.org/10.1021/acs.jcim.7b00455},
}