%0 Generic %1 fleck2022supplementary %A Fleck, Maximilian %A Markthaler, Daniel %A Stankiewicz, Bartosz %A Hansen, Niels %D 2022 %K %R 10.18419/darus-2132 %T Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' %X Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper.Due to the high number of files, the study is provided as a .zip-file. Please check the README.

@misc{fleck2022supplementary, abstract = {Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper.Due to the high number of files, the study is provided as a .zip-file. Please check the README.}, added-at = {2025-03-11T09:45:57.000+0100}, affiliation = {Fleck, Maximilian/University of Stuttgart, Markthaler, Daniel/University of Stuttgart, Stankiewicz, Bartosz/University of Stuttgart, Hansen, Niels/University of Stuttgart}, author = {Fleck, Maximilian and Markthaler, Daniel and Stankiewicz, Bartosz and Hansen, Niels}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/20f3a84623d9fc9e6f7b5b0cc452fea7e/unibiblio}, doi = {10.18419/darus-2132}, howpublished = {Dataset}, interhash = {47565631e3bc2b9022360db8ce77c797}, intrahash = {0f3a84623d9fc9e6f7b5b0cc452fea7e}, keywords = {}, note = {Related to: Markthaler, Daniel; Fleck, Maximilian; Stankiewicz, Bartosz; Hansen, Niels: Exploring the Effect of Enhanced Sampling on Protein Stability Prediction. Journal of Chemical Theory and Computation (2022). doi: 10.1021/acs.jctc.1c01012}, orcid-numbers = {Fleck, Maximilian/0000-0003-3394-7105, Markthaler, Daniel/0000-0003-3281-436X, Hansen, Niels/0000-0003-4366-6120}, timestamp = {2025-03-11T08:45:57.000+0100}, title = {Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'}, year = 2022 }