Automated Markov state models for molecular dynamics simulations of aggregation and self-assembly.

Sengupta, Ushnish

Automated Markov state models for molecular dynamics simulations of aggregation and self-assembly. [electronic resource] - The Journal of chemical physics Mar 2019 - 115101 p. digital

Publication Type: Journal Article

1089-7690

10.1063/1.5083915 doi


Algorithms
Amyloid beta-Peptides--chemistry
Markov Chains
Molecular Dynamics Simulation
Peptide Fragments--chemistry
Protein Conformation
Protein Multimerization