An Efficient Strategy to Estimate Thermodynamics and Kinetics of G Protein-Coupled Receptor Activation Using Metadynamics and Maximum Caliber.
D. Meral, D. Provasi, M. Filizola
This paper develops a method combining metadynamics and maximum caliber to estimate thermodynamic and kinetic properties of GPCR activation efficiently.
bioRxiv · Jul 12, 2018Biophysics