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Theoretical and Computational Chemistry

Working Paper

Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes

Jordi Juárez-Jiménez, Philip Tew, Michael o'connor, Salome Llabres, Rebecca Sage, David Glowacki, Julien Michel

Version 3 posted 07 October 2020

1,124

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Theoretical and Computational Chemistry

Working Paper

Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics.

Cristina Paissoni, Alexander Jussupow, Carlo Camilloni

Version 2 posted 29 November 2019

881

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Catalysis

Working Paper

Engineering Protein Dynamics of Ancestral Luciferase

Andrea Schenkmayerova, Gaspar Pinto, Martin Toul, Martin Marek, Lenka Hernychova, Joan Planas-Iglesias, Veronika Liskova, Daniel Pluskal, Michal Vasina, Stephane Emond, Mark Doerr, Radka Chaloupková, David Bednar, Zbynek Prokop, Florian Hollfelder, Uwe T. Bornscheuer, Jiri Damborsky

Version 1 posted 17 August 2020

383

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Protein Flexibility Catalyzes a Cell Signaling Reaction of the Ras-GAP Complex

Keiei Kumon, Masahiro Higashi, Shinji Saito, Shigehiko Hayashi

Version 1 posted 20 August 2019

543

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Theoretical and Computational Chemistry

Working Paper

Long-Range Entropic Effects on Protein Intrinsically Disordered Regions

Joao Victor de Souza Cunha, Agnieszka K. Bronowska

Version 1 posted 12 February 2019

901

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Analytical Chemistry

Working Paper

Gas Phase Stability of Protein Ions in a Cyclic Ion Mobility Spectrometry Travelling Wave Device

Charles Eldrid, Jakub Ujma, Symeon Kalfas, nick tomczyk, Kevin Giles, mike morris, Konstantinos Thalassinos

Version 1 posted 28 November 2018

968

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1

Citations

Physical Chemistry

Working Paper

How Wide Is the Window Opened by High-Resolution Relaxometry on the Internal Dynamics of Proteins in Solution?

Albert Smith, Nicolas Bolik-Coulon, Matthias Ernst, Beat Meier, Fabien Ferrage

Version 2 posted 03 March 2021

346

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Biological and Medicinal Chemistry

Review

Protein Representations: Encoding Biological Information for Machine Learning in Biocatalysis

David Harding-Larsen, Jonathan Funk, Niklas Gesmar Madsen, Hani Gharabli, Carlos G. Acevedo-Rocha, Stanislav Mazurenko, Ditte Hededam Welner

Version 1 posted 03 April 2024

615

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2

Citations

Biological and Medicinal Chemistry

Review

Representing structures of the multiple conformational states of proteins

Theresa Ramelot, Roberto Tejero, Gaetano Montelione

Version 2 posted 21 August 2023

435

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Theoretical and Computational Chemistry

Working Paper

Unraveling Motion in Proteins by Combining NMR Relaxometry and Molecular Dynamics Simulations: A Case Study on Ubiquitin

Candide Champion, Marc Lehner, Albert A. Smith, Fabien Ferrage, Sereina Riniker

Version 1 posted 22 November 2023

274

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Refine Search

28 results in protein dynamics in Keywords: protein dynamics

Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes

Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics.

Engineering Protein Dynamics of Ancestral Luciferase

Protein Flexibility Catalyzes a Cell Signaling Reaction of the Ras-GAP Complex

Long-Range Entropic Effects on Protein Intrinsically Disordered Regions

Gas Phase Stability of Protein Ions in a Cyclic Ion Mobility Spectrometry Travelling Wave Device

How Wide Is the Window Opened by High-Resolution Relaxometry on the Internal Dynamics of Proteins in Solution?

Protein Representations: Encoding Biological Information for Machine Learning in Biocatalysis

Representing structures of the multiple conformational states of proteins

Unraveling Motion in Proteins by Combining NMR Relaxometry and Molecular Dynamics Simulations: A Case Study on Ubiquitin

28 results in Keywords: protein dynamics