From snapshots to ensembles: Integrating experimental data and dynamics
Vanessa Leone, Fabrizio Marinelli
Topics & Concepts
Computer scienceExperimental dataFunction (biology)Principle of maximum entropyProtein functionEntropy (arrow of time)Data scienceConformational ensemblesDynamics (music)Molecular dynamicsData miningStatistical physicsMolecular conformationBiological systemNeural dynamics and brain function