TIES 20: Relative Binding Free Energy with a Flexible Superimposition Algorithm and Partial Ring Morphing

por Bieniek, Mateusz K., Bhati, Agastya P., Wan, Shunzhou, Coveney, Peter V.
Publicado 2021

Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV-2 Targets

por Bhati, Agastya P., Hoti, Art, Potterton, Andrew, Bieniek, Mateusz K., Coveney, Peter V.
Publicado 2023

TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal

por Bieniek, Mateusz K., Wade, Alexander D., Bhati, Agastya P., Wan, Shunzhou, Coveney, Peter V.
Publicado 2023

An open-source molecular builder and free energy preparation workflow

por Bieniek, Mateusz K., Cree, Ben, Pirie, Rachael, Horton, Joshua T., Tatum, Natalie J., Cole, Daniel J.
Publicado 2022

Photonic Integrated Interrogator for Monitoring the Patient Condition during MRI Diagnosis

por Słowikowski, Mateusz, Kaźmierczak, Andrzej, Stopiński, Stanisław, Bieniek, Mateusz, Szostak, Sławomir, Matuk, Krzysztof, Augustin, Luc, Piramidowicz, Ryszard
Publicado 2021