Publications by authors named "Ian F Thorpe"

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Using Structural Kinetic Modeling To Identify Key Determinants of Stability in Reaction Networks.
Nicole J Carbonaro, Ian F Thorpe

J Phys Chem A· July 2017

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Molecular simulations to delineate functional conformational transitions in the HCV polymerase.
Ester Sesmero, Jodian A Brown, Ian F Thorpe

J Comput Chem· June 2017

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Allosteric Inhibitors Have Distinct Effects, but Also Common Modes of Action, in the HCV Polymerase.
Brittny C Davis, Jodian A Brown, Ian F Thorpe

Biophys J· November 2016

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Computational predictions suggest that structural similarity in viral polymerases may lead to comparable allosteric binding sites.
Jodian A Brown, Marie V Espiritu, Joel Abraham, Ian F Thorpe

Virus Res· August 2016

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Dual Allosteric Inhibitors Jointly Modulate Protein Structure and Dynamics in the Hepatitis C Virus Polymerase.
Jodian A Brown, Ian F Thorpe

Biochemistry· July 2015

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Using the Hepatitis C Virus RNA-Dependent RNA Polymerase as a Model to Understand Viral Polymerase Structure, Function and Dynamics.
Ester Sesmero, Ian F Thorpe

Viruses· July 2015

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Allosteric inhibitors have distinct effects, but also common modes of action, in the HCV polymerase.
Brittny C Davis, Jodian A Brown, Ian F Thorpe

Biophys J· April 2015

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Efficiently refining a transition path using clustering.
Ian F Thorpe

Biophys J· August 2013

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Molecular simulations illuminate the role of regulatory components of the RNA polymerase from the hepatitis C virus in influencing protein structure and dynamics.
Brittny C Davis, Ian F Thorpe

Biochemistry· July 2013

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Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods.
Iwona E Weidlich, Igor V Filippov, Jodian Brown, Neerja Kaushik-Basu, Ramalingam Krishnan, Ian F Thorpe

Bioorg Med Chem· June 2013

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Thumb inhibitor binding eliminates functionally important dynamics in the hepatitis C virus RNA polymerase.
Brittny C Davis, Ian F Thorpe

Proteins· January 2013

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Exploration of transferability in multiscale coarse-grained peptide models.
Ian F Thorpe, David P Goldenberg, Gregory A Voth

J Phys Chem B· October 2011

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Conformational switching between protein substates studied with 2D IR vibrational echo spectroscopy and molecular dynamics simulations.
Sayan Bagchi, Dayton G Thorpe, Ian F Thorpe, Gregory A Voth, M D Fayer

J Phys Chem B· December 2010

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Molecular description of flexibility in an antibody combining site.
Jörg Zimmermann, Floyd E Romesberg, Charles L Brooks, Ian F Thorpe

J Phys Chem B· June 2010

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Peptide folding using multiscale coarse-grained models.
Ian F Thorpe, Jian Zhou, Gregory A Voth

J Phys Chem B· October 2008

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Origins of enhanced proton transport in the Y7F mutant of human carbonic anhydrase II.
C Mark Maupin, Marissa G Saunders, Ian F Thorpe, Robert McKenna, David N Silverman

J Am Chem Soc· August 2008

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Coarse-grained peptide modeling using a systematic multiscale approach.
Jian Zhou, Ian F Thorpe, Sergey Izvekov, Gregory A Voth

Biophys J· June 2007

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Molecular evolution of affinity and flexibility in the immune system.
Ian F Thorpe, Charles L Brooks

Proc Natl Acad Sci U S A· May 2007

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Antibody evolution constrains conformational heterogeneity by tailoring protein dynamics.
Jörg Zimmermann, Erin L Oakman, Ian F Thorpe, Xinghua Shi, Paul Abbyad

Proc Natl Acad Sci U S A· September 2006

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Evaluating the conformational entropy of macromolecules using an energy decomposition approach.
Y Zenmei Ohkubo, Ian F Thorpe

J Chem Phys· January 2006

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Conformational substates modulate hydride transfer in dihydrofolate reductase.
Ian F Thorpe, Charles L Brooks

J Am Chem Soc· September 2005

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The coupling of structural fluctuations to hydride transfer in dihydrofolate reductase.
Ian F Thorpe, Charles L Brooks

Proteins· November 2004

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