Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

Faruck Morcos; Santanu Chatterjee; Christopher L. McClendon; Paul R. Brenner; Roberto López-Rendón; John Zintsmaster; Maria Ercsey-Ravasz; Christopher R. Sweet; Matthew P. Jacobson; Jeffrey W. Peng; Jesús A. Izaguirre

doi:10.1371/journal.pcbi.1001015

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Peer-reviewed

Research Article

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

Faruck Morcos,

Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Santanu Chatterjee,

Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Christopher L. McClendon,

Affiliation Graduate Group in Biophysics and Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America
⨯
Paul R. Brenner,

Affiliation Center for Research Computing, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Roberto López-Rendón,

Affiliation Facultad de Ciencias, Universidad Autónoma del Estado de México, Toluca, México
⨯
John Zintsmaster,

Affiliation Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Maria Ercsey-Ravasz,

Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Physics, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Christopher R. Sweet,

Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Center for Research Computing, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Matthew P. Jacobson,

Affiliation Graduate Group in Biophysics and Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America
⨯
Jeffrey W. Peng ,

* E-mail: jpeng@nd.edu (JWP); izaguirr@nd.edu (JAI)

Affiliation Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯
Jesús A. Izaguirre

* E-mail: jpeng@nd.edu (JWP); izaguirr@nd.edu (JAI)

Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, Indiana, United States of America
⨯

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

Faruck Morcos,
Santanu Chatterjee,
Christopher L. McClendon,
Paul R. Brenner,
Roberto López-Rendón,
John Zintsmaster,
Maria Ercsey-Ravasz,
Christopher R. Sweet,
Matthew P. Jacobson,
Jeffrey W. Peng

Published: December 2, 2010
https://doi.org/10.1371/journal.pcbi.1001015

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Transition Path Theory reference

Posted by Jesus_Izaguirre on 09 Dec 2010 at 01:38 GMT

Transition path theory was not introduced in [36]; the original references were:

W. E and E. V.-E. “Toward a theory of transition paths,” J. Stat. Phys. 123, 503–523 (2006);

E. V.-E., Transition Path Theory, in: “Computer Simulations in Condensed Matter: From Materials to Chemical Biology - Vol. 1” (M. Ferrari, G. Ciccotti, and K. Binder eds.) LNP 703, Springer (2006).

Thanks to Prof. Eric Vanden-Eijnden for this clarification

No competing interests declared.

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Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

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Transition Path Theory reference

Posted by Jesus_Izaguirre on 09 Dec 2010 at 01:38 GMT