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FEBS Open Bio
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December 23, 2022
Guide for determination of protein structural ensembles by combining cryo-EM data with metadynamics
Z Faidon Brotzakis
Methods in Molecular Biology (Clifton, N.J.)
|
March 21, 2024
Cryo-electron Microscopy and Molecular Modeling Methods to Characterize the Dynamics of Tau Bound to Microtubules
Z Faidon Brotzakis
Journal of Chemical Theory and Computation
|
December 18, 2018
Enhanced Sampling of Protein Conformational Transitions via Dynamically Optimized Collective Variables
Z Faidon Brotzakis, Michele Parrinello
The Journal of Chemical Physics
|
November 3, 2016
A one-way shooting algorithm for transition path sampling of asymmetric barriers
Z Faidon Brotzakis, Peter G Bolhuis
The Journal of Chemical Physics
|
November 10, 2019
Approximating free energy and committor landscapes in standard transition path sampling using virtual interface exchange
Z Faidon Brotzakis, Peter G Bolhuis
Chemical Science
|
July 19, 2021
Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy
Z Faidon Brotzakis, Thomas Löhr, Michele Vendruscolo
Journal of Chemical Theory and Computation
|
April 15, 2025
Small Molecules Targeting the Structural Dynamics of AR-V7 Partially Disordered Proteins Using Deep Ensemble Docking
Pantelis Karatzas, Z Faidon Brotzakis, Haralambos Sarimveis
Science Advances
|
January 15, 2025
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
Maria Milanesi, Z Faidon Brotzakis, Michele Vendruscolo
Journal of Chemical Theory and Computation
|
December 13, 2018
Accelerating the Calculation of Protein-Ligand Binding Free Energy and Residence Times Using Dynamically Optimized Collective Variables
Z Faidon Brotzakis, Vittorio Limongelli, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
December 30, 2020
A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations
Z Faidon Brotzakis, Michele Vendruscolo, Peter G Bolhuis
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
FEBS Open Bio
|
December 23, 2022
Guide for determination of protein structural ensembles by combining cryo-EM data with metadynamics
Z Faidon Brotzakis
Methods in Molecular Biology (Clifton, N.J.)
|
March 21, 2024
Cryo-electron Microscopy and Molecular Modeling Methods to Characterize the Dynamics of Tau Bound to Microtubules
Z Faidon Brotzakis
Journal of Chemical Theory and Computation
|
December 18, 2018
Enhanced Sampling of Protein Conformational Transitions via Dynamically Optimized Collective Variables
Z Faidon Brotzakis, Michele Parrinello
The Journal of Chemical Physics
|
November 3, 2016
A one-way shooting algorithm for transition path sampling of asymmetric barriers
Z Faidon Brotzakis, Peter G Bolhuis
The Journal of Chemical Physics
|
November 10, 2019
Approximating free energy and committor landscapes in standard transition path sampling using virtual interface exchange
Z Faidon Brotzakis, Peter G Bolhuis
Chemical Science
|
July 19, 2021
Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy
Z Faidon Brotzakis, Thomas Löhr, Michele Vendruscolo
Journal of Chemical Theory and Computation
|
April 15, 2025
Small Molecules Targeting the Structural Dynamics of AR-V7 Partially Disordered Proteins Using Deep Ensemble Docking
Pantelis Karatzas, Z Faidon Brotzakis, Haralambos Sarimveis
Science Advances
|
January 15, 2025
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
Maria Milanesi, Z Faidon Brotzakis, Michele Vendruscolo
Journal of Chemical Theory and Computation
|
December 13, 2018
Accelerating the Calculation of Protein-Ligand Binding Free Energy and Residence Times Using Dynamically Optimized Collective Variables
Z Faidon Brotzakis, Vittorio Limongelli, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
December 30, 2020
A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations
Z Faidon Brotzakis, Michele Vendruscolo, Peter G Bolhuis
Page
of 3