%0 Generic %1 markthaler2021supplementary %A Markthaler, Daniel %A Hansen, Niels %D 2021 %K darus mult ubs_10004 ubs_20005 ubs_20006 ubs_30058 ubs_30060 ubs_40084 unibibliografie %R 10.18419/darus-2104 %T Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B' %X This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and double decoupling simulations.

@misc{markthaler2021supplementary, abstract = {This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and double decoupling simulations.}, added-at = {2022-03-08T18:38:51.000+0100}, affiliation = {Markthaler, Daniel/Universität Stuttgart, Hansen, Niels/Universität Stuttgart}, author = {Markthaler, Daniel and Hansen, Niels}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/240727c2cfc645b11d87ddec72e0fcf03/unibiblio}, doi = {10.18419/darus-2104}, howpublished = {Dataset}, interhash = {1c5241edbc197136765860c3112efc78}, intrahash = {40727c2cfc645b11d87ddec72e0fcf03}, keywords = {darus mult ubs_10004 ubs_20005 ubs_20006 ubs_30058 ubs_30060 ubs_40084 unibibliografie}, note = {Related to: D. Markthaler, N. Hansen, Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B. In: Data in Brief (2021), 107618. doi: 10.1016/j.dib.2021.107618}, orcid-numbers = {Markthaler, Daniel/0000-0003-3281-436X, Hansen, Niels/0000-0003-4366-6120}, timestamp = {2024-02-08T17:23:40.000+0100}, title = {Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'}, year = 2021 }