Long-time methods for molecular dynamics simulations: Markov State Models and Milestoning
Brajesh Narayan, Ye Yuan, Arman Fathizadeh, Ron Elber, Nicolae‐Viorel Buchete
Topics & Concepts
Computer scienceStatistical physicsMarkov chainEnergy landscapeMolecular dynamicsSampling (signal processing)Markov processSet (abstract data type)State spaceMarkov modelPhysicsChemistryComputational chemistryMathematicsMachine learningStatisticsThermodynamicsComputer visionProgramming languageFilter (signal processing)Protein Structure and DynamicsRNA and protein synthesis mechanismsBacterial Genetics and Biotechnology