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Simon Axelrod

4PUBLICATIONS

18CO-AUTHORS

Theoretical quantum chemistryBiomolecular modelling and designBiologically active moleculesStructure and dynamics of materials

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Publications (4)

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|Aug 22, 2024

Accurate computation of quantum excited states with neural networks.

David Pfau, Simon Axelrod, Halvard Sutterud

|Sep 06, 2023

Mapping the Space of Photoswitchable Ligands and Photodruggable Proteins with Computational Modeling.

Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli

|Feb 27, 2023

Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential.

Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli

|Nov 26, 2021

Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties.

Hung V-T Nguyen, Yivan Jiang, Somesh Mohapatra

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Frequent Collaborators

3 joint publications

Rafael Gómez-Bombarelli

2 joint publications

Eugene Shakhnovich

1 joint publications

Hung V-T Nguyen

1 joint publications

Somesh Mohapatra

1 joint publications

Wencong Wang

1 joint publications

Jonathan C Barnes

1 joint publications

Kathleen K Chen

1 joint publications

Zhihao Huang

1 joint publications

Ingrid von Glehn

1 joint publications

Matthew R Golder

Frequent Collaborators

3 joint publications

Rafael Gómez-Bombarelli

2 joint publications

Eugene Shakhnovich

1 joint publications

Hung V-T Nguyen

1 joint publications

Somesh Mohapatra

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