~/wtreyde (main) $ whoami

Wojtek Treyde_

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Wojtek Treyde

// about

I'm a PhD student in the groups of Fernanda Duarte and Christopher Schofield at the University of Oxford. I apply computational chemistry and machine learning to problems in drug discovery, particularly for antimicrobial resistance.

Previously I worked in Mohammed AlQuraishi's group at Columbia, Frauke Gräter's group at HITS Heidelberg, and as a visiting scholar in Rob Paton's group at Colorado State.

I also co-organise the Science through Computation Initiative.

// publications

RSC Medicinal Chemistry · 2025, 16, 6351–6367

C6-Alkoxy substituted penicillins are potent non-covalently binding inhibitors of the SARS-CoV-2 main protease

D.-G. Muntean, W. Treyde, L. Kinena, E. Salah, H. Choudhry, F. Duarte, L. Brewitz, C. J. Schofield

Proceedings of MLCB 2024, PMLR · 2024, 261, 129–152.

QuickBind: A Light-Weight And Interpretable Molecular Docking Model

W. Treyde, S. C. Kim, N. Bouatta, M. AlQuraishi

RSC Advances · 2022, 12, 34557–34564

Bond dissociation energies of X–H bonds in proteins

W. Treyde, K. Riedmiller, F. Gräter

// experience

research

2023 –

DPhil Student

University of Oxford · Duarte & Schofield groups

2023

Core Infrastructure Intern

Schrödinger, Inc. · Mannheim, Germany

2022 – 2023

Master's Thesis

Columbia University · AlQuraishi group

2021 – 2022

Research Intern

HITS Heidelberg & Colorado State · Gräter & Paton groups

2020

Bachelor's Thesis

BASF SE · Ludwigshafen, Germany

education

2023 – 2027

DPhil in Organic Chemistry

University of Oxford

2020 – 2022

M.Sc. in Molecular Systems Engineering

Max Planck School Matter to Life

2017 – 2020

B.Sc. in Chemistry

University of Heidelberg

// get in touch

Interested in computational chemistry, ML for science, or just want to chat? Feel free to reach out.