Physical Review X · 2016 · 30 citations · 63 references
Rare EventsEngineeringRare-event KineticsProtein FoldingLong-lived StatesRare Event EstimationMolecular BiologyProtein ModelingStatistical InferenceProbability TheoryComputational ChemistryMolecular ComputingSystems BiologyMedicineStatisticsBiophysicsMany Biological MoleculesComputational Biophysics
Many biological molecules exhibit rare events such as protein folding between long-lived states. A new approach allows the kinetics of these rare events to be efficiently simulated with readily achievable computational times.
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Improved side‐chain torsion potentials for the Amber ff99SB protein force field
Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmö et al. · Proteins Structure Function and Bioinformatics · 2010 · 6.1K citations · Full text
Side‐chain Torsion Potentials, Protein Assembly, Biomolecular Structure Prediction +16