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.
https://biokt.github.io/lab-handbook/MasterMSM
Code for building master equation (Markov state) models of molecular kinetics.
https://github.com/daviddesancho/MasterMSMPREFUR
Algorithms for predicting folding and unfolding rates of single-domain, two-state proteins.
https://github.com/daviddesancho/PREFURhdbMSM
Notebooks for building Markov state models from hierarchical density-based clustering (HDBSCAN) of molecular simulation trajectories.
https://github.com/BioKT/hdbMSM