protein-ligand-complex

There are 4 repositories under protein-ligand-complex topic.

  • AHoJ-project

    cusbg/AHoJ-project

    :wave: Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz

    7401

  • SeonghwanSeo/molvoxel

    Easy-to-Use Molecular Voxelization Tool

    Language:Python6111

  • kol0760/AMBER_calculate_for_gromacs

    When calculating the protein-ligand complex system, it is necessary to add an appropriate force field to the ligand. One effective method is to use the CGenFF service, but it was found that this function does not support the alkyne/alkene structure, so a script was written to use GAFF to process small molecules.

    Language:Perl1100

  • wehs7661/PLCC_prep

    A repository for backing of simulation input files.

    10