Use of osmotic coefficient measurements to validate and to correct the interaction thermodynamics of amino acids in molecular dynamics simulations

Molecular dynamics simulations are an increasingly valuable tool to biochemical researchers: advances in computational power have expanded the range of biomolecules that can be simulated, and parameters describing these interactions are increasingly accurate. Despite substantial progress in force fi...

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Bibliographic Details
Main Author: Miller, Mark Stephen
Other Authors: Elcock, Adrian H.
Format: Others
Language:English
Published: University of Iowa 2018
Subjects:
Online Access:https://ir.uiowa.edu/etd/6476
https://ir.uiowa.edu/cgi/viewcontent.cgi?article=7976&context=etd