Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models.

Abramyan, Ara M

Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models. [electronic resource] - Journal of chemical information and modeling 06 2018 - 1244-1252 p. digital

Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, N.I.H., Intramural

1549-960X

10.1021/acs.jcim.8b00175 doi


Bacillus--chemistry
Bacterial Proteins--chemistry
Binding Sites
Markov Chains
Molecular Docking Simulation
Molecular Dynamics Simulation
Plasma Membrane Neurotransmitter Transport Proteins--chemistry
Protein Binding
Protein Conformation
Substrate Specificity