1.1k citations · 1.6k across the 8 of their papers we have counts for
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physics.comp-ph2016★ 34 cited
Predicting the kinetics of RNA oligonucleotides using Markov state models
Giovanni Pinamonti, Jianbo Zhao, David E. Condon +4
Nowadays different experimental techniques, such as single molecule or relaxation experiments, can provide dynamic properties of biomolecular systems, but the amount of detail obta…
stat.ML2016★ 153 cited
Variational Koopman models: slow collective variables and molecular kinetics from short off-equilibrium simulations
Hao Wu, Feliks Nüske, Fabian Paul +3
Markov state models (MSMs) and Master equation models are popular approaches to approximate molecular kinetics, equilibria, metastable states, and reaction coordinates in terms of…
q-bio.BM2016★ 103 cited
How to distinguish conformational selection and induced fit based on chemical relaxation rates
Fabian Paul, Thomas R. Weikl
Protein binding often involves conformational changes. Important questions are whether a conformational change occurs prior to a binding event ('conformational selection') or after…