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S

Simon Olsson

Chalmers University of Technology and University of Gothenburg

25H-index
118Paper Count
3.3KCitation Count
Published Papers 33
Publication Date
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FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation
errNature Computational Science
IF18.3
err2026-05-28
err0
errOAAI
errJulian Cremer; Ross Irwin; Alessandro Tibo; Jon Paul Janet; Simon Olsson; Djork-Arné Clevert
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Minimum-Excess-Work Guidance: Score-Based Sampling with Experimental Data or Sparse Restraints
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-18
err0
errOAAI
errChristopher Kolloff; Tobias Höppe; Emmanouil Angelis; Mathias Jacob Schreiner; Stefan Bauer; Andrea Dittadi; Simon Olsson
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Consistent projection of Langevin dynamics: Preserving thermodynamics and kinetics in coarse-grained models
errPhysical Review E
IF2.4
err2026-05-01
err0
PREAI
errNateghi, Vahid; Neureither, Lara; Moqvist, Selma; Hartmann, Carsten; Olsson, Simon; Nuske, Feliks
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Transferable generative models bridge femtosecond to nanosecond time-step molecular dynamics
errScience Advances
IF12.5
err2026-04-08
err0
errOAAI
errJuan Viguera Diez; Mathias Schreiner; Simon Olsson
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Generative molecular dynamics
errCurrent Opinion in Structural Biology
IF7
err2026-01-15
err0
errOAAI
errSimon Olsson
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Characterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errSisk, Thomas R.; Olsson, Simon; Robustelli, Paul
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Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine
errAngewandte Chemie International Edition
IF16.9
err2025-10-27
err0
errOAAI
errDr. Mark J. Bostock; Christopher Kolloff; Elena Jerschke; Dr. Sam Asami; Prof. Dr. Arne Skerra; Prof. Dr. Simon Olsson; Prof. Dr. Michael Sattler
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Navigating protein landscapes with a machine-learned transferable coarse-grained model
errNature Chemistry
IF20.2
err2025-07-18
err0
errOAAI
errNicholas E. Charron; Klara Bonneau; Aldo S. Pasos-Trejo; Andrea Guljas; Yaoyi Chen; Félix Musil; Jacopo Venturin; Daria Gusew; Iryna Zaporozhets; Andreas Krämer; Clark Templeton; Atharva Kelkar; Aleksander E. P. Durumeric; Simon Olsson; Adrià Pérez; Maciej Majewski; Brooke E. Husic; Ankit Patel; Gianni De Fabritiis; Frank Noé; Cecilia Clementi
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Thermodynamic Interpolation: A Generative Approach to Molecular Thermodynamics and Kinetics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-23
err0
errOAAI
errMoqvist, Selma; Chen, Weilong; Schreiner, Mathias; Nueske, Feliks; Olsson, Simon
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Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-04-15
err2
errOAAI
errDiez, Juan Viguera; Atance, Sara Romeo; Engkvist, Ola; Olsson, Simon
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Rescuing off-equilibrium simulation data through dynamic experimental data with dynAMMo
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-12-12
err3
errOAAI
errKolloff, Christopher; Olsson, Simon
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Vendi sampling for molecular simulations: Diversity as a force for faster convergence and better exploration
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-12
err4
PREAI
errPasarkar, Amey P.; Bencomo, Gianluca M.; Olsson, Simon; Dieng, Adji Bousso
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Markov field models: Scaling molecular kinetics approaches to large molecular machines
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2022-12-01
err7
errOAAI
errHempel, Tim; Olsson, Simon; Noe, Frank
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De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-10-11
err41
PREAI
errAtance, Sara Romeo; Diez, Juan Viguera; Engkvist, Ola; Olsson, Simon; Mercado, Rocio
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A litmus test for classifying recognition mechanisms of transiently binding proteins
errNATURE COMMUNICATIONS
IF15.7
err2022-07-01
err8
errOAAI
errChakrabarti, Kalyan S.; Olsson, Simon; Pratihar, Supriya; Giller, Karin; Overkamp, Kerstin; Lee, Ko On; Gapsys, Vytautas; Ryu, Kyoung-Seok; de Groot, Bert L.; Noe, Frank; Becker, Stefan; Lee, Donghan; Weikl, Thomas R.; Griesinger, Christian
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Multi-body effects in a coarse-grained protein force field
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-29
err40
errOAAI
errWang, Jiang; Charron, Nicholas; Husic, Brooke; Olsson, Simon; Noe, Frank; Clementi, Cecilia
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errSave
Camostat mesylate inhibits SARS-CoV-2 activation by TMPRSS2-related proteases and its metabolite GBPA exerts antiviral activity
errEBIOMEDICINE
IF10.8
err2021-03-01
err189
errOAAI
errHoffmann, Markus; Hofmann-Winkler, Heike; Smith, Joan C.; Krueger, Nadine; Arora, Prerna; Sorensen, Lambert K.; Sogaard, Ole S.; Hasselstrom, Jorgen Bo; Winkler, Michael; Hempel, Tim; Raich, Lluis; Olsson, Simon; Danov, Olga; Jonigk, Danny; Yamazoe, Takashi; Yamatsuta, Katsura; Mizuno, Hirotaka; Ludwig, Stephan; Noe, Frank; Kjolby, Mads; Braun, Armin; Sheltzer, Jason M.; Poehlmann, Stefan
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Discovery of a hidden transient state in all bromodomain families
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2021-01-19
err21
errOAAI
errRaich, Lluis; Meier, Katharina; Guenther, Judith; Christ, Clara D.; Noe, Frank; Olsson, Simon
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Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err68
errOAAI
errHempel, Tim; Raich, Lluis; Olsson, Simon; Azouz, Nurit P.; Klingler, Andrea M.; Hoffmann, Markus; Pohlmann, Stefan; Rothenberg, Marc E.; Noe, Frank
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Protein Allostery at Atomic Resolution
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2020-09-30
err21
errOAAI
errStrotz, Dean; Orts, Julien; Kadavath, Harindranath; Friedmann, Michael; Ghosh, Dhiman; Olsson, Simon; Chi, Celestine N.; Pokharna, Aditya; Guentert, Peter; Vogeli, Beat; Riek, Roland
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Research Directions

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Co-authors
Cooperation Journals
M
Marc E. Rothenberg
H-index: 137 · Papers: 1.4K
C
Christian Griesinger
H-index: 90 · Papers: 693
S
Stefan Pöhlmann
H-index: 84 · Papers: 411
R
Roland Riek
H-index: 82 · Papers: 454
S
Stephan Ludwig
H-index: 78 · Papers: 522
View more