Special Topic: Markov Models of Molecular Kinetics
arXiv:1911.00774 · doi:10.1063/1.5134029
Abstract
The Journal of Chemical Physics (JCP) article collection on Markov Models of Molecular Kinetics (MMMK) features recent advances developing and using Markov State Models (MSMs) in atomistic molecular simulations and related applications. This editorial provides a brief overview of the state of the art in the field and relates it to the articles in this JCP collection.
References in corpus (6)
- Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
- Variational cross-validation of slow dynamical modes in molecular kinetics
- Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states
- Artificial Intelligence Assists Discovery of Reaction Coordinates and Mechanisms from Molecular Dynamics Simulations
- xTRAM: Estimating equilibrium expectations from time-correlated simulation data at multiple thermodynamic states
- Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models