Publications by authors named "DL Lynch"

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Weighted Ensemble Simulations Reveal Novel Conformations and Modulator Effects in Hepatitis B Virus Capsid Assembly.
Diane L Lynch, Anna Pavlova, Zixing Fan, James C Gumbart

J Chem Theory Comput· December 2025

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Integrative Structure and Function of the Competence Pilus Machine.
Stefano Maggi, Stefan Kreida, Lixinhao Yang, Abigail E Teipen, Diane L Lynch

bioRxiv· October 2025

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Structural modeling reveals the mechanism of motor ATPase coordination during type IV pilus retraction.
Abigail E Teipen, Jacob D Holt, Diane L Lynch, Yixuan Peng, Triana N Dalia

bioRxiv· October 2025

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Machine Learning of Molecular Dynamics Simulations Provides Insights into the Modulation of Viral Capsid Assembly.
Anna Pavlova, Zixing Fan, Diane L Lynch, James C Gumbart

J Chem Inf Model· May 2025

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Weighted Ensemble Simulations Reveal Novel Conformations and Modulator Effects in Hepatitis B Virus Capsid Assembly.
Diane L Lynch, Zixing Fan, Anna Pavlova, James C Gumbart

bioRxiv· March 2025

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Machine learning of molecular dynamics simulations provides insights into modulation of viral capsid assembly.
Anna Pavlova, Zixing Fan, Diane L Lynch, James C Gumbart

bioRxiv· February 2025

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A Milestone in the Treatment of Ataxias: Approval of Omaveloxolone for Friedreich Ataxia.
S H Subramony, D L Lynch

Cerebellum· April 2024

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Biophysics-Guided Lead Discovery of HBV Capsid Assembly Modifiers.
Zixing Fan, Anna Pavlova, Matthew C Jenkins, Leda Bassit, Mohammad Salman, Diane L Lynch

ACS Infect Dis· April 2024

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Substrate recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10.
Kevin Wu, Samuel Itskanov, Diane L Lynch, Yuanyuan Chen, Aasha Turner

Nat Commun· March 2024

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Substrate recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10.
Kevin Wu, Samuel Itskanov, Diane L Lynch, Yuanyuan Chen, Aasha Turner

bioRxiv· January 2024

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Structural basis of mitochondrial protein import by the TIM23 complex.
Sue Im Sim, Yuanyuan Chen, Diane L Lynch, James C Gumbart, Eunyong Park

Nature· September 2023

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Understanding Virus Structure and Dynamics through Molecular Simulations.
Diane L Lynch, Anna Pavlova, Zixing Fan, James C Gumbart

J Chem Theory Comput· June 2023

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SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact.
Yui Tik Pang, Atanu Acharya, Diane L Lynch, Anna Pavlova, James C Gumbart

Commun Biol· November 2022

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The Mechanism of Action of Hepatitis B Virus Capsid Assembly Modulators Can Be Predicted from Binding to Early Assembly Intermediates.
Anna Pavlova, Leda Bassit, Bryan D Cox, Maksym Korablyov, Christophe Chipot, Diane L Lynch

J Med Chem· March 2022

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TRPV1 Activation by Anandamide via a Unique Lipid Pathway.
Chanté Muller, Diane L Lynch, Dow P Hurst, Patricia H Reggio

J Chem Inf Model· December 2021

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Using brief habit reversal and an interdependent group contingency to reduce public-speaking speech disfluencies.
Christopher J Perrin, Sarah A Hensel, Durie L Lynch, Lisa R Gallegos, Kendall Bell

J Appl Behav Anal· September 2021

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ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV.
Atanu Acharya, Diane L Lynch, Anna Pavlova, Yui Tik Pang, James C Gumbart

Chem Commun (Camb)· June 2021

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Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2.
Anna Pavlova, Zijian Zhang, Atanu Acharya, Diane L Lynch, Yui Tik Pang

J Phys Chem Lett· June 2021

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Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease: Implications for Catalysis and Inhibitor Design.
Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot, James C Gumbart, Diane L Lynch

J Phys Chem Lett· May 2021

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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.
Anna Pavlova, Diane L Lynch, Isabella Daidone, Laura Zanetti-Polzi, Micholas Dean Smith

Chem Sci· January 2021

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Tuning Proton Transfer Thermodynamics in SARS-Cov-2 Main Protease: Implications for Catalysis and Inhibitor Design.
Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot, James C Gumbart, Diane L Lynch

ChemRxiv· November 2020

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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.
Anna Pavlova, Diane L Lynch, Isabella Daidone, Laura Zanetti-Polzi, Micholas Dean Smith

bioRxiv· September 2020

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A Closer Look at Anandamide Interaction With TRPV1.
Chante Muller, Diane L Lynch, Dow P Hurst, Patricia H Reggio

Front Mol Biosci· July 2020

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GPR6 Structural Insights: Homology Model Construction and Docking Studies.
Israa H Isawi, Paula Morales, Noori Sotudeh, Dow P Hurst, Diane L Lynch

Molecules· February 2020

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The Nucleotide-Free State of the Cannabinoid CB2/Gi Complex.
Diane L Lynch, Dow P Hurst, Patricia H Reggio

Cell· February 2020

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