AlloLab

Data and code for Computational Analysis of Dynamic Allostery and Control in the SARS-CoV-2 Main Protease

Predict allosteric pockets on proteins

Processed data and scripts for a research article "Optimising Elastic Network Models for Protein Dynamics and Allostery: Spatial and Modal Cut-offs and Backbone Stiffness".

The Energetics of Molecular Adaptation in Transcriptional Regulation

Generate and perturb protein structural ensembles using the ExProSE algorithm

ASDParser

A Python package to interactively compute, analyze and visualize protein allosteric communication (residue interaction) networks and delta-networks.

Tools for studying long ranged —allosteric— effects in elastic networks (e.g. of proteins) on a mechanical basis.

Web service for simulations on a user-provided energy landscape

Protocol to model with allostery