Sander Roet

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 12

Top Topics

Randomized Controlled Trial

Machine Learning

Molecular Dynamics

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

Journal of computational chemistry

Current protocols

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry 45 (15) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry 45 (15) (2024)
Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry (2024)
Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Marten L Chaillet, Gijs van der Schot, Ilja Gubins, Sander Roet, Remco C Veltkamp, Friedrich G Förster
Extensive Angular Sampling Enables the Sensitive Localization of Macromolecules in Electron Tomograms. International journal of molecular sciences 24 (17) (2023)
Sander Roet, Ferry Hooft, Peter G Bolhuis, David W H Swenson, Jocelyne Vreede
Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas. The journal of physical chemistry. B 126 (48) (2022)
Sander Roet, Daniel T Zhang, Titus S van Erp
Exchanging Replicas with Unequal Cost, Infinitely and Permanently. The journal of physical chemistry. A 126 (47) (2022)
Elma Mons, Sander Roet, Robbert Q Kim, Monique P C Mulder
A Comprehensive Guide for Assessing Covalent Inhibition in Enzymatic Assays Illustrated with Kinetic Simulations. Current protocols 2 (6) (2022)
Sander Roet, Christopher David Daub, Enrico Riccardi
Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning. Journal of chemical theory and computation 17 (10) (2021)