protein-ligand-complex

There are 0 repository under protein-ligand-complex topic.

SeonghwanSeo / molvoxel
Easy-to-Use Molecular Voxelization Tool
3d-image bioinformatics chemistry molecule protein-ligand-complex protein-structure python representation voxelization voxelizer
Language:Python 6
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
bioinformatics alignment python pymol molstar structural-bioinformatics pdb mmcif rest-api webapp apo-holo fastapi protein-structure proteins protein-data-bank structural-biology protein-ligand-complex computational-biology drug-discovery
5
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.
ambertools molecular-dynamics protein-ligand-complex
Language:Perl 1
wehs7661 / PLCC_prep
A repository for backing of simulation input files.
protein-ligand-complex gromacs molecular-dynamics-simulation

SeonghwanSeo / molvoxel