figshare
Browse

Small molecular GAFF force field files

Download all (68.22 kB)
Version 2 2019-05-07, 07:11
Version 1 2019-04-11, 12:55
dataset
posted on 2019-05-07, 07:11 authored by ZHENG LiangzhenZHENG Liangzhen, Yuguang Mu, Kelin Xia
The topology files for Progesterone and Asoprisnil in Gromacs format based on Amber GAFF force field.

STR.itp: Progesterone
AS0.itp: Asoprisnil

History

Usage metrics

    Categories

    Keywords

    Progesterone receptorLigand binding domainHelix 12AsoprisnilProgesteroneMolecular dynamicsConformational DynamicsBiophysics

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC