200 ns classical molecular dynamics of PksJ KR2-ACP4 complex
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资源简介：
A trajectory from a 200 ns classical molecular dynamics simulations of PksJ ACP4:KR2 complex. The trajectory is stripped from water and ions and contains only frames every 1 ns. The MD simulation was performed using AMBER 20 with ff19SB force field and OPC water model. This is a supporting dataset for Passmore et al. Chem. Sci. 2021 DOI: 10.1039/D1SC03478B
创建时间：
2021-09-30
