Mateusz K Bieniek
5PUBLICATIONS
13CO-AUTHORS
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Publications (5)
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|Jan 16, 2025
Active learning driven prioritisation of compounds from on-demand libraries targeting the SARS-CoV-2 main protease.Ben Cree, Mateusz K Bieniek, Siddique Amin
|Jan 03, 2025
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein-Ligand Binding Free Energies.Johannes Karwounopoulos, Mateusz Bieniek, Zhiyi Wu
|May 29, 2023
Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand-Protein Interactions and Allostery in SARS-CoV-2 Targets.Agastya P Bhati, Art Hoti, Andrew Potterton
|Jan 31, 2023
TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal.Mateusz K Bieniek, Alexander D Wade, Agastya P Bhati
|Nov 02, 2022
An open-source molecular builder and free energy preparation workflow.Mateusz K Bieniek, Ben Cree, Rachael Pirie
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Frequent Collaborators
2 joint publications
Daniel J Cole
2 joint publications
Peter V Coveney
1 joint publications
Johannes Karwounopoulos
1 joint publications
Zhiyi Wu
1 joint publications
Gerhard König
1 joint publications
Rachael Pirie
1 joint publications
Joshua T Horton
1 joint publications
Natalie J Tatum
1 joint publications
Shunzhou Wan
1 joint publications
Andrew Potterton
