Article

Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations

2022-10-20

Abstract excerpt

The ability to predict and understand the complex molecular motions occurring over diverse timescales ranging from picoseconds to seconds and even hours occurring in biological systems remains one of the largest challenges to chemical theory. Markov State Models (MSMs), which provide a memoryless description of the transitions between different states of a biochemical system, have provided numerous important physi...

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Literature Corpus work: 993e1cc7-9615-5de7-b9c3-6ebdf26c01f6
DOI: 10.1101/2022.10.17.512620

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