Site-based virtual-bond torsional and improper-torsional potentials of the terminally-blocked Ala-Ala dipeptide and terminally-blocked alanine, respectively calculated from the PM7/PCM energy surfaces

Name: Site-based virtual-bond torsional and improper-torsional potentials of the terminally-blocked Ala-Ala dipeptide and terminally-blocked alanine, respectively calculated from the PM7/PCM energy surfaces
Creator: University of Gdańsk
Published: 2024-03-06T07:04:20+08:00

RepOD Repository for Open Data2024-03-06 更新2026-07-23 收录

势能计算

力场参数化

数据链接：

https://repod.icm.edu.pl/dataset.xhtml?persistentId=doi:10.18150/UEWYHQ 数据链接链接失效反馈

官方服务：

资源简介：

Lipska, Agnieszka G.; Sieradzan, Adam K.; Atmaca, Sümeyye; Czaplewski, Cezary; Liwo, Adam, 2024, "Site-based virtual-bond torsional and improper-torsional potentials of the terminally-blocked Ala-Ala dipeptide and terminally-blocked alanine, respectively calculated from the PM7/PCM energy surfaces", https://doi.org/10.18150/UEWYHQ, RepOD, V1

提供机构：

University of Gdańsk

创建时间：

2024-03-06