Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis
N. Hansen, and D. Markthaler. Dataset, (2024)Related to: Schneider, Andreas; Lystbæk, Thomas B.; Markthaler, Daniel; Hansen, Niels; Hauer, Bernhard (2024): Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. In: Nature Communications, 15, 4925. doi: 10.1038/s41467-024-48993-9.
DOI: 10.18419/darus-4135
Abstract
This data set 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.
Related to: Schneider, Andreas; Lystbæk, Thomas B.; Markthaler, Daniel; Hansen, Niels; Hauer, Bernhard (2024): Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. In: Nature Communications, 15, 4925. doi: 10.1038/s41467-024-48993-9
%0 Generic
%1 hansen2024replication
%A Hansen, Niels
%A Markthaler, Daniel
%D 2024
%K darus ubs_10004 ubs_20005 ubs_30058 ubs_40084 unibibliografie
%R 10.18419/darus-4135
%T Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis
%X This data set 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{hansen2024replication,
abstract = {This data set 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 = {2024-06-17T10:00:59.000+0200},
affiliation = {Hansen, Niels/Universität Stuttgart, Markthaler, Daniel/Universität Stuttgart},
author = {Hansen, Niels and Markthaler, Daniel},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/269b0f67af47510a54748f4e0e68153ac/unibiblio},
doi = {10.18419/darus-4135},
howpublished = {Dataset},
interhash = {eb3fb6c8d08b7c6a9109c33d0d996b1d},
intrahash = {69b0f67af47510a54748f4e0e68153ac},
keywords = {darus ubs_10004 ubs_20005 ubs_30058 ubs_40084 unibibliografie},
note = {Related to: Schneider, Andreas; Lystbæk, Thomas B.; Markthaler, Daniel; Hansen, Niels; Hauer, Bernhard (2024): Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. In: Nature Communications, 15, 4925. doi: 10.1038/s41467-024-48993-9},
orcid-numbers = {Hansen, Niels/0000-0003-4366-6120, Markthaler, Daniel/0000-0003-3281-436X},
timestamp = {2024-06-17T10:00:59.000+0200},
title = {Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis},
year = 2024
}
