Replication Data for: Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis


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.

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Metadata Access
Creator Hansen, Niels ORCID logo; Markthaler, Daniel (ORCID: 0000-0003-3281-436X)
Publisher DaRUS
Contributor Hansen, Niels
Publication Year 2024
Funding Reference DFG EXC 2075 - 390740016
Rights CC BY 4.0; info:eu-repo/semantics/openAccess;
OpenAccess true
Contact Hansen, Niels (Universität Stuttgart)
Resource Type Dataset
Format application/gzip
Size 571212937
Version 1.0
Discipline Chemistry; Engineering Sciences; Heat Energy Technology, Thermal Machines, Fluid Mechanics; Natural Sciences; Physics; Technical Thermodynamics; Thermal Engineering/Process Engineering