Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
收藏DaRUS2021-11-25 更新2026-04-16 收录
下载链接：
https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-2104
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资源简介：
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.
提供机构：
Universität Stuttgart
创建时间：
2021-01-01
