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Molecules (Basel, Switzerland)
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November 29, 2017
Alcohol Interactions with Lipid Bilayers
Tomáš Kondela, Jana Gallová, Thomas Hauß, et al.
Journal of Chemical Theory and Computation
|
June 23, 2020
Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange
Yang Liu, Weria Pezeshkian, Jonathan Barnoud, et al.
Journal of Chemical Information and Modeling
|
November 11, 2020
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
Helen M Deeks, Rebecca K Walters, Jonathan Barnoud, et al.
Expert Opinion on Drug Discovery
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May 31, 2022
The emerging potential of interactive virtual reality in drug discovery
Rebecca K Walters, Ella M Gale, Jonathan Barnoud, et al.
The Journal of Physical Chemistry. B
|
April 22, 2020
Dual Resolution Membrane Simulations Using Virtual Sites
Yang Liu, Alex H De Vries, Jonathan Barnoud, et al.
Peerj
|
November 28, 2017
PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks
Jonathan Barnoud, Hubert Santuz, Pierrick Craveur, et al.
The Journal of Chemical Physics
|
July 17, 2020
Titratable Martini model for constant pH simulations
Fabian Grünewald, Paulo C T Souza, Haleh Abdizadeh, et al.
Scientific Reports
|
October 4, 2023
Free energy along drug-protein binding pathways interactively sampled in virtual reality
Helen M Deeks, Kirill Zinovjev, Jonathan Barnoud, et al.
Journal of Chemical Theory and Computation
|
February 26, 2020
Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field
Hanif M Khan, Paulo C T Souza, Sebastian Thallmair, et al.
Biophysical Journal
|
September 19, 2020
Piezo1 Forms Specific, Functionally Important Interactions with Phosphoinositides and Cholesterol
Amanda Buyan, Charles D Cox, Jonathan Barnoud, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 25) with videos related to
Sort By:
Page
of 3
Molecules (Basel, Switzerland)
|
November 29, 2017
Alcohol Interactions with Lipid Bilayers
Tomáš Kondela, Jana Gallová, Thomas Hauß, et al.
Journal of Chemical Theory and Computation
|
June 23, 2020
Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange
Yang Liu, Weria Pezeshkian, Jonathan Barnoud, et al.
Journal of Chemical Information and Modeling
|
November 11, 2020
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
Helen M Deeks, Rebecca K Walters, Jonathan Barnoud, et al.
Expert Opinion on Drug Discovery
|
May 31, 2022
The emerging potential of interactive virtual reality in drug discovery
Rebecca K Walters, Ella M Gale, Jonathan Barnoud, et al.
The Journal of Physical Chemistry. B
|
April 22, 2020
Dual Resolution Membrane Simulations Using Virtual Sites
Yang Liu, Alex H De Vries, Jonathan Barnoud, et al.
Peerj
|
November 28, 2017
PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks
Jonathan Barnoud, Hubert Santuz, Pierrick Craveur, et al.
The Journal of Chemical Physics
|
July 17, 2020
Titratable Martini model for constant pH simulations
Fabian Grünewald, Paulo C T Souza, Haleh Abdizadeh, et al.
Scientific Reports
|
October 4, 2023
Free energy along drug-protein binding pathways interactively sampled in virtual reality
Helen M Deeks, Kirill Zinovjev, Jonathan Barnoud, et al.
Journal of Chemical Theory and Computation
|
February 26, 2020
Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field
Hanif M Khan, Paulo C T Souza, Sebastian Thallmair, et al.
Biophysical Journal
|
September 19, 2020
Piezo1 Forms Specific, Functionally Important Interactions with Phosphoinositides and Cholesterol
Amanda Buyan, Charles D Cox, Jonathan Barnoud, et al.
Page
of 3