Simulation data for "Corrole-protein interactions in H-Nox and HasA"

Molecular dynamics simulation trajectories, metadata, and analysis script for the manuscript "Corrode-Protein interactions in H-Nox and HasA" (article link) by Christopher M. Lemon, Amos J. Nissley, Naomi R. Latorraca, Elizabeth C. Wittenborn, and Michael A. Marletta, RCS Chem Biol. 2022, 3, 571-581.

本数据集包含用于研究论文"H-Nox与HasA中的Corrode与蛋白的相互作用"（文章链接）的分子动力学模拟轨迹、元数据与分析脚本。该论文作者为Christopher M. Lemon、Amos J. Nissley、Naomi R. Latorraca、Elizabeth C. Wittenborn及Michael A. Marletta，发表于《RCS Chem Biol》2022年第3卷，第571至581页。