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Updated: Jul 6, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
Dynamical bottlenecks to intramolecular energy flow
R Paskauskas1, C Chandre, T Uzer
1Center for Nonlinear Sciences, School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430, USA. rytis@gatech.edu
Abstract:
Vibrational energy flows unevenly in molecules, repeatedly going back and forth between trapping and roaming. We identify bottlenecks between diffusive and chaotic behavior, and describe generic mechanisms of these transitions, taking the carbonyl sulfide molecule OCS as a case study. The bottlenecks are found to be lower-dimensional tori; their bifurcations and unstable manifolds govern the transition mechanisms.
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