Kinetic Machine Learning Unravels Ligand-Directed Conformational Change of μ Opioid Receptor
Evan N. Feinberg, Amir B. Farimani, Carlos X. Hernandez, Vijay S. Pande
The paper uses kinetic machine learning to analyze molecular dynamics simulations of the μ opioid receptor, identifying new metastable states and ligand-directed conformational changes.
bioRxiv · Jul 31, 2017 · PreprintBiophysics