%0 Journal Article %1 markthaler2022binding %A Markthaler, Daniel %A Kraus, Hamzeh %A Hansen, Niels %D 2022 %J Journal of Computer-Aided Molecular Design %K EXC2075 PN3 PN3-8 curated merged %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 %U https://doi.org/10.1007/s10822-021-00439-w %V 36

@article{markthaler2022binding, added-at = {2022-06-07T16:59:59.000+0200}, author = {Markthaler, Daniel and Kraus, Hamzeh and Hansen, Niels}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2ce15f520a8d41ef996845ef509e812b9/simtech}, doi = {10.1007/s10822-021-00439-w}, interhash = {530dc9354f192c606226df284a5ad3ba}, intrahash = {ce15f520a8d41ef996845ef509e812b9}, journal = {Journal of Computer-Aided Molecular Design}, keywords = {EXC2075 PN3 PN3-8 curated merged}, pages = {1-9}, timestamp = {2023-12-06T08:55:18.000+0100}, title = {Binding free energies for the SAMPL8 CB8 “Drugs of Abuse” challenge from umbrella sampling combined with Hamiltonian replica exchange}, url = {https://doi.org/10.1007/s10822-021-00439-w}, volume = 36, year = 2022 }