Project Acronym: pi3ka-mutTitle: The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculationsAffiliation: biomedical research foundation, academy of athensPi: Zoe CourniaResearch Field: biochemistry, bioinformatics and life sciences
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
by Andrea Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M. Henriksen, Bert L. de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K. Gilson, Michael R. Shirts, David L. Mobley, John D. Chodera
Reference:
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations (Andrea Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M. Henriksen, Bert L. de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K. Gilson, Michael R. Shirts, David L. Mobley, John D. Chodera), In Journal of Computer-Aided Molecular Design, volume , 2020.
Bibtex Entry:
@article{doi:10.1007-s10822-020-00290-5,
author = {Andrea Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M. Henriksen, Bert L. de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K. Gilson, Michael R. Shirts, David L. Mobley, John D. Chodera},
title = {The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations},
journal = {Journal of Computer-Aided Molecular Design},
volume = {},
year = {2020},
bibyear = {2020},
number = {},
pages = {},
url = {https://link.springer.com/article/10.1007%2Fs10822-020-00290-5},
doi = {10.1007/s10822-020-00290-5},
}