Annie M. Westerlund

According to our database, Annie M. Westerlund authored at least 5 papers between 2018 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

WEISS: Wasserstein efficient sampling strategy for LLMs in drug design.

Riccardo Tedoldi, Junyong Li, Ola Engkvist, Andrea Passerini, Annie M. Westerlund, Alessandro Tibo

Mach. Learn. Sci. Technol., 2025

Investigations into the Efficiency of Computer-Aided Synthesis Planning.

Peter B. R. Hartog, Annie M. Westerlund, Igor V. Tetko, Samuel Genheden

J. Chem. Inf. Model., 2025

2024

Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis.

Annie M. Westerlund, Siva Manohar Koki, Supriya Kancharla, Alessandro Tibo, Lakshidaa Saigiridharan, Mikhail Kabeshov, Rocío Mercado, Samuel Genheden

J. Chem. Inf. Model., 2024

2022

Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin.

Annie M. Westerlund, Akshay Sridhar, Leo Dahl, Alma Andersson, Anna-Yaroslava Bodnar, Lucie Delemotte

PLoS Comput. Biol., October, 2022

2018

Effect of Ca2+ on the promiscuous target-protein binding of calmodulin.

Annie M. Westerlund, Lucie Delemotte

PLoS Comput. Biol., 2018