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Journal of Chemical Theory and Computation
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October 25, 2019
InfleCS: Clustering Free Energy Landscapes with Gaussian Mixtures
Annie M Westerlund, Lucie Delemotte
Plos Computational Biology
|
April 4, 2018
Effect of Ca2+ on the promiscuous target-protein binding of calmodulin
Annie M Westerlund, Lucie Delemotte
Chemical Science
|
July 16, 2025
Human-guided synthesis planning <i>via</i> prompting
Annie M Westerlund, Lakshidaa Saigiridharan, Samuel Genheden
Molecular Informatics
|
September 7, 2023
Data-driven approaches for identifying hyperparameters in multi-step retrosynthesis
Annie M Westerlund, Bente Barge, Lewis Mervin, et al.
The Journal of Chemical Physics
|
October 22, 2020
Network analysis reveals how lipids and other cofactors influence membrane protein allostery
Annie M Westerlund, Oliver Fleetwood, Sergio Pérez-Conesa, et al.
International Journal of Molecular Sciences
|
October 13, 2021
Risk Prediction of Cardiovascular Events by Exploration of Molecular Data with Explainable Artificial Intelligence
Annie M Westerlund, Johann S Hawe, Matthias Heinig, et al.
Journal of Chemical Theory and Computation
|
November 17, 2017
Inference of Calmodulin's Ca<sup>2+</sup>-Dependent Free Energy Landscapes via Gaussian Mixture Model Validation
Annie M Westerlund, Tyler J Harpole, Christian Blau, et al.
Biophysical Journal
|
January 19, 2020
Molecular Insights from Conformational Ensembles via Machine Learning
Oliver Fleetwood, Marina A Kasimova, Annie M Westerlund, et al.
Journal of Chemical Information and Modeling
|
January 31, 2025
Investigations into the Efficiency of Computer-Aided Synthesis Planning
Peter B R Hartog, Annie M Westerlund, Igor V Tetko, et al.
Plos Computational Biology
|
October 7, 2022
Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin
Annie M Westerlund, Akshay Sridhar, Leo Dahl, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
October 25, 2019
InfleCS: Clustering Free Energy Landscapes with Gaussian Mixtures
Annie M Westerlund, Lucie Delemotte
Plos Computational Biology
|
April 4, 2018
Effect of Ca2+ on the promiscuous target-protein binding of calmodulin
Annie M Westerlund, Lucie Delemotte
Chemical Science
|
July 16, 2025
Human-guided synthesis planning <i>via</i> prompting
Annie M Westerlund, Lakshidaa Saigiridharan, Samuel Genheden
Molecular Informatics
|
September 7, 2023
Data-driven approaches for identifying hyperparameters in multi-step retrosynthesis
Annie M Westerlund, Bente Barge, Lewis Mervin, et al.
The Journal of Chemical Physics
|
October 22, 2020
Network analysis reveals how lipids and other cofactors influence membrane protein allostery
Annie M Westerlund, Oliver Fleetwood, Sergio Pérez-Conesa, et al.
International Journal of Molecular Sciences
|
October 13, 2021
Risk Prediction of Cardiovascular Events by Exploration of Molecular Data with Explainable Artificial Intelligence
Annie M Westerlund, Johann S Hawe, Matthias Heinig, et al.
Journal of Chemical Theory and Computation
|
November 17, 2017
Inference of Calmodulin's Ca<sup>2+</sup>-Dependent Free Energy Landscapes via Gaussian Mixture Model Validation
Annie M Westerlund, Tyler J Harpole, Christian Blau, et al.
Biophysical Journal
|
January 19, 2020
Molecular Insights from Conformational Ensembles via Machine Learning
Oliver Fleetwood, Marina A Kasimova, Annie M Westerlund, et al.
Journal of Chemical Information and Modeling
|
January 31, 2025
Investigations into the Efficiency of Computer-Aided Synthesis Planning
Peter B R Hartog, Annie M Westerlund, Igor V Tetko, et al.
Plos Computational Biology
|
October 7, 2022
Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin
Annie M Westerlund, Akshay Sridhar, Leo Dahl, et al.
Page
of 2