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Journal of Chemical Theory and Computation
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September 24, 2021
Chemistrees: Data-Driven Identification of Reaction Pathways <i>via</i> Machine Learning
Sander Roet, Christopher D Daub, Enrico Riccardi
The Journal of Physical Chemistry. A
|
November 17, 2022
Exchanging Replicas with Unequal Cost, Infinitely and Permanently
Sander Roet, Daniel T Zhang, Titus S van Erp
Journal of Computational Chemistry
|
November 20, 2019
PyRETIS 2: An improbability drive for rare events
Enrico Riccardi, Anders Lervik, Sander Roet, et al.
Current Protocols
|
June 7, 2022
A Comprehensive Guide for Assessing Covalent Inhibition in Enzymatic Assays Illustrated with Kinetic Simulations
Elma Mons, Sander Roet, Robbert Q Kim, et al.
The Journal of Physical Chemistry. B
|
November 25, 2022
Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas
Sander Roet, Ferry Hooft, Peter G Bolhuis, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 5, 2024
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps
Daniel T Zhang, Lukas Baldauf, Sander Roet, et al.
International Journal of Molecular Sciences
|
September 9, 2023
Extensive Angular Sampling Enables the Sensitive Localization of Macromolecules in Electron Tomograms
Marten L Chaillet, Gijs van der Schot, Ilja Gubins, et al.
Journal of Computational Chemistry
|
February 12, 2024
PyRETIS 3: Conquering rare and slow events without boundaries
Wouter Vervust, Daniel T Zhang, An Ghysels, et al.
The Journal of Chemical Physics
|
April 6, 2026
e T 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F Kjønstad, Alexander C Paul, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
September 24, 2021
Chemistrees: Data-Driven Identification of Reaction Pathways <i>via</i> Machine Learning
Sander Roet, Christopher D Daub, Enrico Riccardi
The Journal of Physical Chemistry. A
|
November 17, 2022
Exchanging Replicas with Unequal Cost, Infinitely and Permanently
Sander Roet, Daniel T Zhang, Titus S van Erp
Journal of Computational Chemistry
|
November 20, 2019
PyRETIS 2: An improbability drive for rare events
Enrico Riccardi, Anders Lervik, Sander Roet, et al.
Current Protocols
|
June 7, 2022
A Comprehensive Guide for Assessing Covalent Inhibition in Enzymatic Assays Illustrated with Kinetic Simulations
Elma Mons, Sander Roet, Robbert Q Kim, et al.
The Journal of Physical Chemistry. B
|
November 25, 2022
Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas
Sander Roet, Ferry Hooft, Peter G Bolhuis, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 5, 2024
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps
Daniel T Zhang, Lukas Baldauf, Sander Roet, et al.
International Journal of Molecular Sciences
|
September 9, 2023
Extensive Angular Sampling Enables the Sensitive Localization of Macromolecules in Electron Tomograms
Marten L Chaillet, Gijs van der Schot, Ilja Gubins, et al.
Journal of Computational Chemistry
|
February 12, 2024
PyRETIS 3: Conquering rare and slow events without boundaries
Wouter Vervust, Daniel T Zhang, An Ghysels, et al.
The Journal of Chemical Physics
|
April 6, 2026
e T 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F Kjønstad, Alexander C Paul, et al.
Page
of 1