Molecular Dynamics Simulation of MC-congeners in complex with PPP1 - Replicate 1
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https://zenodo.org/record/5017744
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资源简介：
This data sets contains Molecular Dynamics (MD) Simulation files and analysis. Microcystin (MC) congeners were simulated in solvent (water) and in complex with protein phosphatase 1 (PPP1). MD Simulation was repeated for three times. This data is replicate 1 and related data sets are available.
Please cite the original publication when using all or part of the data:
S. Jaeger-Honz, J. Nitschke, S. Altaner, K. Klein, D. R. Dietrich, F. Schreiber: Investigation of microcystin conformation and binding towards PPP1 by molecular dynamics simulation. Chemico-Biological Interactions, 2021
创建时间：
2021-12-02
