Coarse master equations for binding kinetics of amyloid peptide dimers

Coarse master equations for binding kinetics of amyloid peptide dimers

CT Leahy, RD Murphy, G Hummer… - The journal of …, 2016 - ACS Publications

We characterize the kinetics of dimer formation of the short amyloid microcrystal-forming
tetrapeptides NNQQ by constructing coarse master equations for the conformational
dynamics of the system, using temperature replica-exchange molecular dynamics (REMD) …

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