Markov State Models Reconcile Conformational Plasticity of GTPase

Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation

MSM analysis shows that the binding process proceeds via distinct

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

Biomolecules, Free Full-Text

Drugging all RAS isoforms with one pocket

shubhandra tripathi (@shubsmile) / X

Jagannath Mondal on X: Just published in JACS au! we put together the complex mechanism of Ras Gtpase/GTP binding using 100 microsecond MD simulation data and Markov state modelling. Huge effort by

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

Award Winners and Abstracts of the 32nd Annual Symposium of The Protein Society; Boston, MA, July 9–12, 2018 - 2018 - Protein Science - Wiley Online Library

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

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

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

Symposium 18: The Alternating Access Mechanism in the Era - Cell

Drugging all RAS isoforms with one pocket