Protein folding using coarse-grained optimal control and molecular dynamics

Yaman Arkun*, Mert Gür

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

4 Citations (Scopus)

Abstract

Protein folding is formulated as a moving horizon optimal control problem. We present a novel method that combines coarse-grained optimal control and molecular dynamics to generate dynamical folding trajectories with full atomic details. The method is applied to a benchmark protein, Villin headpiece.

Original languageEnglish
Title of host publicationProceedings of the 18th IFAC World Congress
PublisherIFAC Secretariat
Pages14213-14216
Number of pages4
Edition1 PART 1
ISBN (Print)9783902661937
DOIs
Publication statusPublished - 2011
Externally publishedYes

Publication series

NameIFAC Proceedings Volumes (IFAC-PapersOnline)
Number1 PART 1
Volume44
ISSN (Print)1474-6670

Fingerprint

Dive into the research topics of 'Protein folding using coarse-grained optimal control and molecular dynamics'. Together they form a unique fingerprint.

Cite this