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Journal of Chemical Theory and Computation
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November 22, 2015
Hybrid QM/MM Molecular Dynamics Study of Benzocaine in a Membrane Environment: How Does a Quantum Mechanical Treatment of Both Anesthetic and Lipids Affect Their Interaction
Rafael C Bernardi, Pedro G Pascutti
Journal of Chemical Theory and Computation
|
September 11, 2025
AI Uncovers the Rapid Activation of Catch-Bonds under Force
Marcelo C R Melo, Rafael C Bernardi
Biotechnology for Biofuels
|
July 1, 2014
Molecular dynamics study of enhanced Man5B enzymatic activity
Rafael C Bernardi, Isaac Cann, Klaus Schulten
Biophysical Journal
|
February 4, 2023
Fostering discoveries in the era of exascale computing: How the next generation of supercomputers empowers computational and experimental biophysics alike
Marcelo C R Melo, Rafael C Bernardi
Advances in Experimental Medicine and Biology
|
February 6, 2026
From Atoms to Cells: AI-Based Structure Prediction Fueling Molecular Dynamics Simulations in Computational Structural Biology
Rafael C Bernardi, Marcelo C R Melo
Environmental Microbiology
|
January 20, 2016
Cellulose degradation in the human gut: Ruminococcus champanellensis expands the cellulosome paradigm
Isaac Cann, Rafael C Bernardi, Roderick I Mackie
Biochimica Et Biophysica Acta
|
December 3, 2014
Enhanced sampling techniques in molecular dynamics simulations of biological systems
Rafael C Bernardi, Marcelo C R Melo, Klaus Schulten
Science (New York, N.Y.)
|
March 31, 2018
Molecular mechanism of extreme mechanostability in a pathogen adhesin
Lukas F Milles, Klaus Schulten, Hermann E Gaub, et al.
Journal of the American Chemical Society
|
December 1, 2022
Molecular Origins of Force-Dependent Protein Complex Stabilization during Bacterial Infections
Marcelo C R Melo, Diego E B Gomes, Rafael C Bernardi
Biorxiv : the Preprint Server for Biology
|
November 1, 2024
Atomistic Insights into gp82 Binding: A Microsecond, Million-Atom Exploration of Trypanosoma cruzi Host-Cell Invasion
Raissa S L Rosa, Manuela Leal da Silva, Rafael C Bernardi
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 22, 2015
Hybrid QM/MM Molecular Dynamics Study of Benzocaine in a Membrane Environment: How Does a Quantum Mechanical Treatment of Both Anesthetic and Lipids Affect Their Interaction
Rafael C Bernardi, Pedro G Pascutti
Journal of Chemical Theory and Computation
|
September 11, 2025
AI Uncovers the Rapid Activation of Catch-Bonds under Force
Marcelo C R Melo, Rafael C Bernardi
Biotechnology for Biofuels
|
July 1, 2014
Molecular dynamics study of enhanced Man5B enzymatic activity
Rafael C Bernardi, Isaac Cann, Klaus Schulten
Biophysical Journal
|
February 4, 2023
Fostering discoveries in the era of exascale computing: How the next generation of supercomputers empowers computational and experimental biophysics alike
Marcelo C R Melo, Rafael C Bernardi
Advances in Experimental Medicine and Biology
|
February 6, 2026
From Atoms to Cells: AI-Based Structure Prediction Fueling Molecular Dynamics Simulations in Computational Structural Biology
Rafael C Bernardi, Marcelo C R Melo
Environmental Microbiology
|
January 20, 2016
Cellulose degradation in the human gut: Ruminococcus champanellensis expands the cellulosome paradigm
Isaac Cann, Rafael C Bernardi, Roderick I Mackie
Biochimica Et Biophysica Acta
|
December 3, 2014
Enhanced sampling techniques in molecular dynamics simulations of biological systems
Rafael C Bernardi, Marcelo C R Melo, Klaus Schulten
Science (New York, N.Y.)
|
March 31, 2018
Molecular mechanism of extreme mechanostability in a pathogen adhesin
Lukas F Milles, Klaus Schulten, Hermann E Gaub, et al.
Journal of the American Chemical Society
|
December 1, 2022
Molecular Origins of Force-Dependent Protein Complex Stabilization during Bacterial Infections
Marcelo C R Melo, Diego E B Gomes, Rafael C Bernardi
Biorxiv : the Preprint Server for Biology
|
November 1, 2024
Atomistic Insights into gp82 Binding: A Microsecond, Million-Atom Exploration of Trypanosoma cruzi Host-Cell Invasion
Raissa S L Rosa, Manuela Leal da Silva, Rafael C Bernardi
Page
of 5