Author

M. Papadourakis

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 2 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Approach:statistical model· 3 Research Focus:benchmarking· 1 Approach:deep learning· 1 Research Focus:protein folding & dynamics· 1 Assay:proteomics· 1

Frequent Co-Authors

J. Michel· 2 shared Z. Cournia· 2 shared A. A. Gupta· 1 shared A. Dickson· 1 shared A. Koutselos· 1 shared A. Rizzi· 1 shared B. L. de Groot· 1 shared C. Mendoza-Martinez· 1 shared

Activity by Year

2020-2024 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 25 mutual co-author links

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2 shared papersBiophysics

J. Michel

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3 papers

Recent·Most cited

Computational investigation of BMAA and its carbamate adducts as potential GluR2 modulators

I. Diakogiannaki, M. Papadourakis, V. Spyridaki, Z. Cournia, A. Koutselos

This study investigates the binding modes and affinity of BMAA and its carbamate adducts to GluR2 compared to glutamate, finding comparable binding affinity for the adducts.

bioRxiv · Jan 12, 2024Pharmacology & Toxicology

Energetics of a protein disorder-order transition in small molecule recognition

C. Mendoza-Martinez, M. Papadourakis, s. llabres, A. A. Gupta, P. N. Barlow, J. Michel

The paper investigates how a small molecule modulates a protein disorder-to-order transition, showing AM-7209 preferentially stabilizes ordered lid conformations in MDM2 compared to Nutlin-3a.

bioRxiv · Aug 5, 2021Biophysics

The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations

A. Rizzi, T. Jensen, D. R. Slochower, M. Aldeghi, V. Gapsys, D. Ntekoumes, S. Bosisio, M. Papadourakis, N. M. Henriksen, B. L. de Groot, Z. Cournia, A. Dickson, J. Michel, M. K. Gilson, M. R. Shirts, , J. D. Chodera

This study evaluates binding free energy calculation methods using the SAMPL6 challenge, finding variations in efficiency and reproducibility across different systems and methods.

bioRxiv · Jan 3, 2020Biophysics