Article
Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations.
BioMed research international - 1 Jan 2018
Dongmo Foumthuim Cedrix J, Corazza Alessandra, Berni Rodolfo, Esposito Gennaro, Fogolari Federico
Abstract excerpt
Molecular dynamics simulations are used in this work to probe the structural stability and the dynamics of engineered mutants of transthyretin (TTR), i.e., the double mutant F87M/L110M (MT-TTR) and the triple mutant F87M/L110M/S117E (3M-TTR), in relation to wild-type. Free energy analysis from end-point simulations and statistical effective energy functions are used to analyze trajectories, revealing that...
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