Going beyond Clustering in MD Trajectory Analysis: An Application to Villin Headpiece Folding

Open Access

Peer-reviewed

Research Article

Aruna Rajan,

Affiliation Department of Physics, University of Illinois, Urbana-Champaign, Illinois, United States of America
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Lydia Freddolino,

Current address: Lewis Sigler Institute for Integrative Genomics, Princeton University, Princeton, New Jersey, United States of America

Affiliation Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana-Champaign, Illinois, United States of America
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Klaus Schulten

* E-mail: kschulte@ks.uiuc.edu

Affiliations Department of Physics, University of Illinois, Urbana-Champaign, Illinois, United States of America, Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana-Champaign, Illinois, United States of America
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Protein folding
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Principal component analysis
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Dihedral angles
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Molecular dynamics
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Visual inspection
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Built structures
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Cartesian coordinates
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Protein structure
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