Simon Olsson

Assistant Professor at Data Science and AI

For details about my research please see our group website

Source: chalmers.se
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Showing 18 publications

2024

Machine Learning in Molecular Dynamics Simulations of Biomolecular Systems

Christopher Kolloff, Simon Olsson
Comprehensive Computational Chemistry, p. 475-492
Book chapter
2023

Vendi sampling for molecular simulations: Diversity as a force for faster convergence and better exploration

Amey P. Pasarkar, Gianluca M. Bencomo, Simon Olsson et al
Journal of Chemical Physics. Vol. 159 (14)
Journal article
2023

Implicit Transfer Operator Learning: Multiple Time-Resolution Models for Molecular Dynamics

Jacob Mathias Schreiner, Ole Winther, Simon Olsson
Advances in Neural Information Processing Systems
Paper in proceeding
2023

Rescuing Off-Equilibrium Simulation Data through Dynamic Experimental Data with dynAMMo

Christopher Kolloff, Simon Olsson
Machine Learning: Science and Technology. Vol. 4 (4)
Journal article
2023

A design strategy to generate a SARS-CoV-2 RBD vaccine that abrogates ACE2 binding and improves neutralizing antibody responses

Christoph Ratswohl, Clara Vázquez García, Ata ul Wakeel Ahmad et al
European Journal of Immunology. Vol. In Press
Journal article
2022

A novel strategy of structure-guided vaccine design to enhance the availability of immunogens

C. Ratswohl, C. Vazquez Garcia, A. U. -W. Ahmad et al
European Journal of Immunology. Vol. 52, p. 173-173
Other conference contribution
2022

BIBAX: a novel structure-guided approach to improve vaccine safety and efficacy

C. Ratswohl, M. Lebedin, C. Vazquez Garcia et al
European Journal of Immunology. Vol. 52, p. 98-99
Other conference contribution
2022

Motional clustering in supra-τc conformational exchange influences NOE cross-relaxation rate

Christopher Kolloff, Adam Mazur, Jan K. Marzinek et al
Journal of Magnetic Resonance. Vol. 338
Journal article
2022

Markov field models: Scaling molecular kinetics approaches to large molecular machines

Tim Hempel, Simon Olsson, Frank Noe
Current Opinion in Structural Biology. Vol. 77
Review article
2022

A litmus test for classifying recognition mechanisms of transiently binding proteins

Kalyan S. Chakrabarti, Simon Olsson, Supriya Pratihar et al
Nature Communications. Vol. 13 (1)
Journal article
2022

Markov State Models of Protein–Protein Encounters

Simon Olsson
Protein Interactions: The Molecular Basis of Interactomics, p. 163-193
Book chapter
2022

Ecosystem Models Based on Artificial Intelligence

Claes Strannegård, Niklas Engsner, Jesper Eisfeldt et al
34th Workshop of the Swedish Artificial Intelligence Society, SAIS 2022
Paper in proceeding
2022

Prediction of the Chemical Context for Buchwald-Hartwig Coupling Reactions

Samuel Genheden, Agnes Mårdh, Gustav Lahti et al
Molecular Informatics. Vol. In Press
Journal article
2022

De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models

Sara Romeo Atance, Juan Viguera Diez, Ola Engkvist et al
Journal of Chemical Information and Modeling. Vol. In Press
Journal article
2021

Multi-body effects in a coarse-grained protein force field

Jiang Wang, Nicholas Charron, Brooke Husic et al
Journal of Chemical Physics. Vol. 154 (16)
Journal article
2021

Discovery of a hidden transient state in all bromodomain families

Lluis Raich, Katharina Meier, Judith Guenther et al
Proceedings of the National Academy of Sciences of the United States of America. Vol. 118 (4)
Journal article
2021

Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat

Tim Hempel, Lluis Raich, Simon Olsson et al
Chemical Science. Vol. 12 (3), p. 983-992
Journal article
2021

Camostat mesylate inhibits SARS-CoV-2 activation by TMPRSS2-related proteases and its metabolite GBPA exerts antiviral activity

Markus Hoffmann, Heike Hofmann-Winkler, Joan C. Smith et al
EBioMedicine. Vol. 65
Journal article

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