Publication: Protein folding using coarse-grained optimal control and molecular dynamics
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KU-Authors
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Language
English
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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.
Description
Source:
IFAC Proceedings Volumes (IFAC-PapersOnline)
Publisher:
IFAC
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Subject
Chemical and biological engineering