Author

Ludovico Pipitò

Coventry UniversityORCID 0000-0002-1824-7541Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Assay:protein structure· 3 Approach:statistical model· 3 Research Focus:protein structure prediction· 2 Research Focus:drug response / drug discovery· 1 Approach:experimental assay· 1 Organism:human· 1 Approach:mixed model· 1 Research Focus:protein design· 1

Frequent Co-Authors

Christopher Arthur ReynoldsiD· 5 shared Giuseppe DeganuttiiD· 5 shared Choa Ping NgiD· 2 shared Jennifer GreavesiD· 2 shared Lorena MejutoiD· 2 shared Peter Griffin· 2 shared Antonella CiancettaiD· 1 shared Camila Idigbe· 1 shared

Activity by Year

2022-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 36 mutual co-author links

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5 shared papersBioinformatics

Christopher Arthur ReynoldsORCID

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Author profile →

5 papers

Recent·Most cited

Deacylation of SNAP25 protein family isoforms reveals distinct substrate selectivities of α/β hydrolase domain (ABHD) deacylases

Lorena Mejuto, Ludovico Pipitò, Choa Ping Ng, Nicholas C. O. Tomkinson, Christopher Arthur Reynolds, Giuseppe Deganutti, Jennifer Greaves

The paper identifies ABHD13 and ABHD16A as deacylases regulating SNAP25 family proteins and maps substrate selectivity to a single amino acid position.

bioRxiv · May 13, 2026 · PreprintMolecular Biology

AI-derived Protein Structures Validation: AlphaFold2 Models in the Twilight Zone

Peter Griffin, Giuseppe Deganutti, Kamiya Jadeja, Camila Idigbe, Ludovico Pipitò, Lorena Mejuto, Choa Ping Ng, Saffron Peck, Jennifer Greaves, Christopher Arthur Reynolds

The paper validates AlphaFold2-generated protein structures by aligning them with structurally similar proteins, showing success for challenging cases like ABHD16A.

bioRxiv · May 12, 2026 · PreprintBioinformatics

Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)

Giuseppe Deganutti, Ludovico Pipitò, Roxana‐Maria Rujan, Tal Weizmann, Peter Griffin, Antonella Ciancetta, Stefano Moro, Christopher Arthur Reynolds

This paper introduces mwSuMD, a molecular dynamics algorithm, to simulate complex structural transitions in GPCRs without energy bias, demonstrating its application in studying receptor activation and GDP release.

eLife · Apr 17, 2025Peer-reviewedBioinformatics

Is The Stalk of the SARS-CoV-2 Spike Protein Druggable?

Ludovico Pipitò, Christopher Arthur Reynolds, Giuseppe Deganutti

This study computationally evaluates the druggability of the SARS-CoV-2 spike protein stalk using molecular docking and dynamics simulations, finding it challenging due to structural flexibility.

Viruses · Dec 14, 2022Peer-reviewedBioinformatics

Understanding The Role of Heparinoids on the SARS-CoV-2 Spike Protein through Molecular Dynamics Simulations

Ludovico Pipitò, Christopher Arthur Reynolds, Giuseppe Deganutti

This study uses molecular dynamics simulations to investigate how heparinoids interact with the SARS-CoV-2 spike protein and ACE2 receptor, revealing mechanisms behind their inhibitory effects.

bioRxiv · Jul 5, 2022 · PreprintBioinformatics