Software, Data and Group Resources
BIOKT Group Handbook
How we work in the BIOKT group, from arrival and project organisation to MD simulation checklists, and the reasons behind each practice.
MasterMSM
Code for building master equation (Markov state) models of molecular kinetics.
PREFUR
Algorithms for predicting folding and unfolding rates of single-domain, two-state proteins.
hdbMSM
Notebooks for building Markov state models from hierarchical density-based clustering (HDBSCAN) of molecular simulation trajectories.