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richardbsessions's Projects

balas icon balas

A web interface for in silico Alanine Scanning leveraging the functionality of BudeAlaScan

bl_pipe icon bl_pipe

The Bristol Leeds Pipeline. This software takes a protein structure and a virtual library of small molecules (including conformers) and passes this through a virtual screening tool to a docking program to predict the best binders. This code uses FastROCS (OpenEye) as the virtual screening tool and BUDE (here) as the docking program. best

bude icon bude

Bristol University Docking Engine

bude_sm icon bude_sm

This code leverages BUDE functionality to perform saturation mutagenesis. A typical use would be to optimise a peptide ligand to improve binding to its partner

budealascan icon budealascan

A python utility to perform Alanine Scanning "on the command line" on a protein-protein complex.

covid icon covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

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