Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamics
Dongdong Wang, Yanze Wang, Junhan Chang, Linfeng Zhang, Handong Wang, E Weinan
Topics & Concepts
MetadynamicsEnergy landscapeComputer scienceFolding (DSP implementation)Molecular dynamicsEnergy (signal processing)PeptoidSampling (signal processing)Adaptive samplingInefficiencyStatistical physicsConstruct (python library)Cluster analysisAlgorithmComputational sciencePhysicsMathematicsComputational chemistryArtificial intelligenceStatisticsChemistryNuclear magnetic resonanceComputer visionProgramming languageElectrical engineeringMicroeconomicsMonte Carlo methodPeptideThermodynamicsEngineeringFilter (signal processing)EconomicsProtein Structure and DynamicsMass Spectrometry Techniques and ApplicationsRNA and protein synthesis mechanisms