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Frequency adaptive metadynamics for the calculation of rare-event kinetics
Yong Wang, Omar Valsson, Pratyush Tiwary, Michele Parrinello,
Kresten Lindorff-Larsen
Biomolecular Sciences
27
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Keyphrases
Metadynamics
100%
Rate Calculations
100%
Enhanced Sampling
50%
Time-scale Separation
50%
Practical Utility
50%
Thermodynamic Properties
50%
Metastable States
50%
Adaptation Strategies
50%
Corrupt
50%
Computational Cost
50%
Kinetic Properties
50%
Slow Kinetics
50%
Biomolecular Systems
50%
Free Energy
50%
Chemistry
Chemical Kinetics Characteristics
100%
Sampling
100%
Free Energy
100%
Chemical Engineering
Chemical Kinetics Characteristics
100%
Free Energy
100%
Biochemistry, Genetics and Molecular Biology
Metadynamic
100%
Engineering
Slow Kinetics
33%
Metastable State
33%