Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved Inactive Human Adenosine A3 Receptor (bibtex)

by Stampelou, Margarita, Ladds, Graham and Kolocouris, Antonios

Reference:

Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved Inactive Human Adenosine A3 Receptor (Stampelou, Margarita, Ladds, Graham and Kolocouris, Antonios), In The Journal of Physical Chemistry B, volume 128, 2024.

Bibtex Entry:

@article{doi:10.1021/acs.jpcb.3c05986,
        call={pr010},
        acronym={CADD-AK},
        fulltitle={Computational-Aided Drug Design-Kolocouris },
        pi={Antonios Kolocouris},
        affiliation={National and Kapodistrian University of Athens},
        researchfield={Biochemistry, Bioinformatics and Life sciences},
	author = {Stampelou, Margarita and Ladds, Graham and Kolocouris, Antonios},
	title = {Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved Inactive Human Adenosine A3 Receptor},
	journal = {The Journal of Physical Chemistry B},
	volume = {128},
	number = {4},
	pages = {914-936},
	year = {2024},
	bibyear={2024},
	doi = {10.1021/acs.jpcb.3c05986},
	URL = {https://doi.org/10.1021/acs.jpcb.3c05986},
}