Följ
Annie M. Westerlund
Annie M. Westerlund
Senior Scientist, AstraZeneca
Verifierad e-postadress på astrazeneca.com
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Molecular insights from conformational ensembles via machine learning
O Fleetwood, MA Kasimova, AM Westerlund, L Delemotte
Biophysical Journal 118 (3), 765-780, 2020
722020
Effect of Ca2+ on the promiscuous target-protein binding of calmodulin
AM Westerlund, L Delemotte
PLoS computational biology 14 (4), e1006072, 2018
642018
Calmodulin acts as a state-dependent switch to control a cardiac potassium channel opening
PW Kang, AM Westerlund, J Shi, KMF White, AK Dou, AH Cui, JR Silva, ...
Science advances 6 (50), eabd6798, 2020
362020
Risk prediction of cardiovascular events by exploration of molecular data with explainable artificial intelligence
AM Westerlund, JS Hawe, M Heinig, H Schunkert
International Journal of Molecular Sciences 22 (19), 10291, 2021
322021
InfleCS: clustering free energy landscapes with Gaussian mixtures
AM Westerlund, L Delemotte
Journal of chemical theory and computation 15 (12), 6752-6759, 2019
322019
Network analysis reveals how lipids and other cofactors influence membrane protein allostery
AM Westerlund, O Fleetwood, S Perez-Conesa, L Delemotte
The Journal of Chemical Physics 153 (14), 2020
222020
Inference of calmodulin's Ca2+-dependent free energy landscapes via Gaussian Mixture Model Validation
AM Westerlund, TJ Harpole, C Blau, L Delemotte
Biophysical Journal 114 (3), 675a, 2018
192018
Tracking the motion of the KV1.2 voltage sensor reveals the molecular perturbations caused by a de novo mutation in a case of epilepsy
A Pantazis, M Kaneko, M Angelini, F Steccanella, AM Westerlund, ...
The Journal of physiology 598 (22), 5245-5269, 2020
112020
Data‐driven approaches for identifying hyperparameters in multi‐step retrosynthesis
AM Westerlund, B Barge, L Mervin, S Genheden
Molecular Informatics 42 (11), e202300128, 2023
12023
Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin
AM Westerlund, A Sridhar, L Dahl, A Andersson, AY Bodnar, L Delemotte
PLoS Computational Biology 18 (10), e1010583, 2022
12022
Deciphering conformational ensembles and communication pathways in biomolecules
AM Westerlund
A&C Black Publishers Ltd., 2020
12020
Recursive Bayesian Estimation Applied to Autonomous Vehicles
A Westerlund, HJ Larsson
12015
Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis
AM Westerlund, S Manohar Koki, S Kancharla, A Tibo, L Saigiridharan, ...
Journal of Chemical Information and Modeling, 2023
2023
Calmodulin Functionally Couples the KCNQ1 Channel Voltage-Sensing and Pore Domains
PW Kang, AM Westerlund, J Shi, KMF White, AK Dou, JR Silva, ...
Biophysical Journal 118 (3), 332a-333a, 2020
2020
A De Novo Mutation Associated with Epilepsy Enhances KV1. 2 Voltage Dependence, Suppressing Neuronal Excitability
A Pantazis, M Kaneko, AM Westerlund, L Delemotte, S Saitta, R Olcese
Biophysical Journal 116 (3), 247a, 2019
2019
Multiscale biophysical investigation of a novel KCNA2 (KV1. 2) variant associated with epilepsy
A Pantazis, M Kaneko, AM Westerlund, L Delemotte, S Saitta, R Olcese
Acta Physiologica 227, 64-64, 2019
2019
On the Selective Promiscuity of Calmodulin
AM Westerlund, L Delemotte
Biophysical Journal 114 (3), 7a-8a, 2018
2018
Computational Study of Calmodulin’s Ca2+-dependent Conformational Ensembles
AM Westerlund
Kungliga Tekniska högskolan, 2018
2018
Optimization of Extended Warranties-A Model in a Centralized Supply Chain Environment
J Bertilsson, G Ljungqvist, A Vedadi, A Westerlund
2013
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Artiklar 1–19