Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors
Please log in to take part in the discussion (add own reviews or comments).
Cite this publication
More citation styles
- please select -
%0 Journal Article
%1 riniker2011comparison
%A Riniker, Sereina
%A Christ, Clara D.
%A Hansen, Niels
%A Mark, Alan E.
%A Nair, Pramod C.
%A van Gunsteren, Wilfred F.
%D 2011
%I AIP Publishing
%J The Journal of Chemical Physics
%K imported test5
%N 2
%P 024105
%R 10.1063/1.3604534
%T Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors
%U https://doi.org/10.1063%2F1.3604534
%V 135
@article{riniker2011comparison,
added-at = {2023-08-30T11:05:06.000+0200},
author = {Riniker, Sereina and Christ, Clara D. and Hansen, Niels and Mark, Alan E. and Nair, Pramod C. and van Gunsteren, Wilfred F.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2c29740de4cc09bfb3edab94a24a6680f/roberta.toscano},
doi = {10.1063/1.3604534},
interhash = {530a52916c2849a0899480d51da2621c},
intrahash = {c29740de4cc09bfb3edab94a24a6680f},
journal = {The Journal of Chemical Physics},
keywords = {imported test5},
month = jul,
number = 2,
pages = 024105,
publisher = {{AIP} Publishing},
timestamp = {2023-09-13T14:11:46.000+0200},
title = {Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors},
url = {https://doi.org/10.1063%2F1.3604534},
volume = 135,
year = 2011
}
