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Simon Olsson

Chalmers University of Technology and University of Gothenburg

25H指数
118论文数
3.3K被引数
收录论文 33
发表时间
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FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generationFLOWR：用于结构感知的从头设计、基于相互作用和基于片段的配体生成的流匹配
errNature Computational Science
IF18.3
err2026-05-28
err0
errOAAI
errJulian Cremer; Ross Irwin; Alessandro Tibo; Jon Paul Janet; Simon Olsson; Djork-Arné Clevert
err分享
err收藏
Minimum-Excess-Work Guidance: Score-Based Sampling with Experimental Data or Sparse Restraints最小过剩功制导：基于实验数据或稀疏约束的评分采样
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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err收藏
Consistent projection of Langevin dynamics: Preserving thermodynamics and kinetics in coarse-grained models朗之万动力学的协调投影：在粗粒化模型中保持热力学和动力学
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可转移生成模型连接飞秒到纳秒时间步长的分子动力学
errScience Advances
IF12.5
err2026-04-08
err0
errOAAI
errJuan Viguera Diez; Mathias Schreiner; Simon Olsson
err分享
err收藏
Generative molecular dynamics
errCurrent Opinion in Structural Biology
IF7
err2026-01-15
err0
errOAAI
errSimon Olsson
err分享
err收藏
Characterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe利用环链（Writhe）表征固有无序蛋白的结构和动力学ensemble
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errSisk, Thomas R.; Olsson, Simon; Robustelli, Paul
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err收藏
Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine工程化脂质运载蛋白中的构象猝灭实现了与毒素秋水仙碱的高亲和力结合
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
err分享
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Navigating protein landscapes with a machine-learned transferable coarse-grained model使用机器学习的可转移粗粒度模型导航蛋白质景观
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
err分享
err收藏
Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics通过替代模型辅助的分子动力学生成小分子的构象集合
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-04-15
err2
errOAAI
errDiez, Juan Viguera; Atance, Sara Romeo; Engkvist, Ola; Olsson, Simon
err分享
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Rescuing off-equilibrium simulation data through dynamic experimental data with dynAMMo用dynAMMo通过动态实验数据拯救失衡模拟数据
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-12-12
err3
errOAAI
errKolloff, Christopher; Olsson, Simon
err分享
err收藏
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
err分享
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De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models使用基于图的深度生成模型的强化学习进行从头药物设计
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
err分享
err收藏
A litmus test for classifying recognition mechanisms of transiently binding proteins用于对瞬时结合蛋白的识别机制进行分类的石蕊测试
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
err分享
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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
err分享
err收藏
Camostat mesylate inhibits SARS-CoV-2 activation by TMPRSS2-related proteases and its metabolite GBPA exerts antiviral activityCamostat甲磺酸盐抑制TMPRSS2-related蛋白酶的SARS-CoV-2激活及其代谢产物GBPA发挥抗病毒活性
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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研究方向

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