Variational Identification of Markovian Transition States
We present a method that enables the identification and analysis of conformational Markovian transition states from atomistic or coarse-grained molecular dynamics (MD) trajectories. Our algorithm is presented by using both analytical models and examples from MD simulations of the benchmark system he...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2017-09-01
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| Series: | Physical Review X |
| Online Access: | http://doi.org/10.1103/PhysRevX.7.031060 |