Annie Westerlund

PhD Student
Department of Applied Physics
KTH Royal Institute of Technology

E-mail: annie.westerlund@gmail.com

Projects: 

• Membrane Protein Modeling – Development of MD Simulation Analysis Tools
• Membrane Protein Modeling – Development and Application of Enhanced Sampling Methods
• Membrane Protein Modeling – Molecular Mechanisms of Ion Channel’s Gating

Profiles:

• LinkedIn
• GitHub

Biography:

Annie has a background in engineering mathematics and complex adaptive systems. After graduating from Chalmers, she worked with localization of autonomous cars. She joined the Delemotte lab in 2016, starting her PhD in computational biophysics. By developing and applying data analysis methods, she is aiming to understand protein conformational dynamics, ion channel gating and allosteric pathways. Off work, Annie enjoys playing guitar and singing.

Education:

• Licentiate Degree in Biological Physics, KTH Royal Institute of Technology (2018)
• Master of Science in Engineering (Engineering Mathematics), Chalmers University of Technology (2015)
• Master of Science in Complex Adaptive Systems, Chalmers University of Technology (2015)
• Bachelor of Science in Engineering mathematics, Chalmers University of Technology (2013)

Publications:

• A.M. Westerlund, L. Delemotte, InfleCS: Clustering Free Energy Landscapes with Gaussian Mixtures, J. Chem. Theory Comput., (2019), 15 (12), pp 6052-6059, DOI: 10.1021/acs.jctc.9b00454

• O. Fleetwood, M. A. Kasimova, A. M. Westerlund, L. Delemotte, Molecular Insights From Conformational Ensembles Using Machine Learning, Biophysical Journal, 118 (3), pp 765-780 (2020)

• A.M. Westerlund, L. Delemotte, Effect of Ca2+ on the promiscuous target-protein binding of Calmodulin, PLOS computational biology, (2018), DOI: 10.1371/journal.pcbi.1006072
• A.M. Westerlund, T.J. Harpole, C. Blau, L. Delemotte, Inference of Calmodulin’s Ca2+-dependent free energy landscapes, J. Chem. Theory Comput., (2018), 14 (1), pp 63–71, DOI: 10.1021/acs.jctc.7b00346