anthracyclines

Name: anthracyclines
Creator: Vargiu, Attilio Vittorio; Zgurskaya, Helen I.; Malloci, Giuliano; Ruggerone, Paolo; Bosin, Andrea; Gervasoni, Silvia
Published: 2022-03-24 00:00:00
License: 暂无描述

Figshare2022-03-24 更新2026-04-08 收录

下载链接：

https://springernature.figshare.com/articles/dataset/anthracyclines/17212256/1

下载链接

链接失效反馈

官方服务：

资源简介：

Archive of anthracyclines containing sub-folders named after each compound and its net charge. Every compound's folder contains a total of 20 files distributed into three sub-directories reporting QM (QM/), FF (FF/), and MD (MD/) data.

蒽环类化合物（anthracyclines）数据集存档包含以各化合物及其净电荷命名的子文件夹。每个化合物对应的文件夹中共包含20个文件，这些文件被划分至三个子目录：QM/、FF/与MD/，分别存储量子力学（QM）、分子力场（FF）以及分子动力学（MD）相关数据。

提供机构：

Vargiu, Attilio Vittorio; Zgurskaya, Helen I.; Malloci, Giuliano; Ruggerone, Paolo; Bosin, Andrea; Gervasoni, Silvia

创建时间：

2022-03-24