%0 Journal Article %1 markthaler2022binding %A Markthaler, Daniel %A Kraus, Hamzeh %A Hansen, Niels %D 2022 %I Springer %J Journal of computer aided molecular design %K %N 1 %P 1-9 %R 10.1007/s10822-021-00439-w %T Binding free energies for the SAMPL8 CB8 “Drugs of Abuse” challenge from umbrella sampling combined with Hamiltonian replica exchange %V 36

@article{markthaler2022binding, added-at = {2023-08-19T11:55:30.000+0200}, affiliation = {Hansen, N (Corresponding Author), Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, D-70569 Stuttgart, Germany. Markthaler, Daniel; Kraus, Hamzeh; Hansen, Niels, Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, D-70569 Stuttgart, Germany.}, author = {Markthaler, Daniel and Kraus, Hamzeh and Hansen, Niels}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2e5baabd27129dcc10e2f8af757c111a5/unibiblio}, doi = {10.1007/s10822-021-00439-w}, interhash = {530dc9354f192c606226df284a5ad3ba}, intrahash = {e5baabd27129dcc10e2f8af757c111a5}, issn = {{0920-654X} and {1573-4951}}, journal = {Journal of computer aided molecular design}, keywords = {}, language = {eng}, number = 1, orcid-numbers = {Kraus, Hamzeh/0000-0001-9643-4839}, pages = {1-9}, publisher = {Springer}, research-areas = {Biochemistry & Molecular Biology; Biophysics; Computer Science}, timestamp = {2023-08-19T09:55:30.000+0200}, title = {Binding free energies for the SAMPL8 CB8 “Drugs of Abuse” challenge from umbrella sampling combined with Hamiltonian replica exchange}, unique-id = {WOS:000737095900002}, volume = 36, year = 2022 }