Molecular Dynamics Simulation of MC-congeners in complex with PPP1 - Replicate 2
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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 2 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
