Darren Wragg

2PUBLICATIONS
5CO-AUTHORS
Structure and dynamics of materialsBiomolecular modelling and design
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Publications (2)

|Nov 20, 2025
Computational Workflow to Unravel the Structural Dynamics of Supramolecular Metallacages in Solution.

Julia A Stebani, Iñigo Iribarren Aguirre, Gohar A Siddiqui

|Aug 09, 2023
Application of Machine Learning Algorithms to Metadynamics for the Elucidation of the Binding Modes and Free Energy Landscape of Drug/Target Interactions: a Case Study.

Gohar Ali Siddiqui, Julia A Stebani, Darren Wragg

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Frequent Collaborators

2 joint publications

Angela Casini

2 joint publications

Alessio Gagliardi

1 joint publications

Gohar Ali Siddiqui

1 joint publications

Julia A Stebani