Global optimization using metadynamics and a polarizable force field: application to protein loops

Genetic sequences are being collected at an ever increasing rate due to rapid cost reductions; however, experimental approaches to determine the structure and function of the protein(s) each gene codes are not keeping pace. Therefore, computational methods to augment experimental structures with com...

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Bibliographic Details
Main Author: Avdic, Armin
Other Authors: Schnieders, Michael J.
Format: Others
Language:English
Published: University of Iowa 2016
Subjects:
Online Access:https://ir.uiowa.edu/etd/3043
https://ir.uiowa.edu/cgi/viewcontent.cgi?article=6387&context=etd