Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event

How can Markov State Models be used for ligand-protein complex Molecular Dynamics simulations?

Markov state modeling reveals alternative unbinding pathways for peptide–MHC complexes

Publications – The Taylor Lab

Drugging all RAS isoforms with one pocket

Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event

IJMS, Free Full-Text

Markov state models of biomolecular conformational dynamics - ScienceDirect

Markov state modeling of membrane transport proteins - ScienceDirect

PDF) 2015-congreso Miguel Rodriguez Lopez