DNMT3A/B MD Trajectories
收藏资源简介：
Ensembles extracted from the MD trajectories of DNMT3A-CGC/T/A/G and DNMT3B-CGG/A/T/C complexes. For each complex, we generated a 500 ns long trajectory and recorded structural snapshots at each 0.5 ns, leading to 1001 conformers per complex. All the MD related parameter files and trajectory analysis scripts are deposited at https://github.com/CSB-KaracaLab/DNMT3AB_specificity/ Our work is described in detail at https://www.biorxiv.org/content/10.1101/2024.02.07.579311v3
本数据集的构象集合提取自DNMT3A-CGC/T/A/G与DNMT3B-CGG/A/T/C复合物的分子动力学（Molecular Dynamics, MD）轨迹。针对每一组复合物，我们生成了时长500纳秒的MD轨迹，并以每0.5纳秒的间隔采集结构快照，最终每组复合物可得到1001个构象体。 所有与MD相关的参数文件及轨迹分析脚本已上传至：https://github.com/CSB-KaracaLab/DNMT3AB_specificity/ 本研究的详细内容可参见：https://www.biorxiv.org/content/10.1101/2024.02.07.579311v3
