ESPhoenix

Eugene Shrimpton-Phoenix's repositories

Automated workflow for running molecular dynamics simulations with Amber and Openmm

Language:PythonMIT600

Automated Analysis of Molecular Dynamics Trajectories. Wrapper for MdTraj and MdAnalysis modules

Language:Python000

docking protocol using fpocket, mutates all pocket residues to Alanine

Language:Python100

reads protein PDB files into Pandas dataframes, writes back to PDB files

Language:Python300

Config files for my GitHub profile.

000

Feature generation method for proteins

Language:Python200

Cofactor-dependent feature generation for protiens

Language:Python100

Modified Vina docking procedure, with pocket detection - fully automated

Language:Python100

core, exterior, pocket regions - feature generation, one per pocket

Language:Python100

Feature generation for globular proteins

Language:Python100

Collection of scripts used to create an index of Flavoprotiens

Language:Python000