Andrea Scarpino

Institute of Cancer Research — United Kingdom

Computer Science · Physical Sciences

10h-index452citations28works1.42yr avg
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Research Topics

Computational Drug Discovery Methods(6), Click Chemistry and Applications(6), Protein Degradation and Inhibitors(6), Chemical Synthesis and Analysis(5), Peptidase Inhibition and Analysis(4)

Publications28 total

Developing potent and selective TBK1 molecular glue degraders for cancer immunotherapy
2026Open Access
Decoding BCL6 Inhibitors: Computational Insights into the Impact of Water Networks on Potency
Journal of Chemical Information and Modeling·2025· 1 citedOpen Access
Evaluating the impact of <i>CRBN</i> mutations on response to immunomodulatory drugs and novel cereblon E3 ligase modulators in myeloma
Blood·2025· 6 citedOpen Access
iTAG an optimized IMiD-induced degron for targeted protein degradation in human and murine cells
iScience·2024Open Access
Abstract 2058: Compound library screening to identify modulators of alternative splicing in non-small cell lung cancer (NSCLC)
Cancer Research·2024
Front Cover: A Degron Blocking Strategy Towards Improved CRL4<sup>CRBN</sup> Recruiting PROTAC Selectivity (ChemBioChem 23/2023)
ChemBioChem·2023Open Access
A Degron Blocking Strategy Towards Improved CRL4<sup>CRBN</sup> Recruiting PROTAC Selectivity**
ChemBioChem·2023· 15 citedOpen Access
iTAG an optimized IMiD-induced degron for targeted protein degradation in human and murine cells
iScience·2023· 13 citedOpen Access
WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors
Journal of Computer-Aided Molecular Design·2021· 29 citedOpen Access
Binding Mode Prediction and Virtual Screening Applications by Covalent Docking
Methods in molecular biology·2021· 6 cited
Covalent Docking in Drug Discovery: Scope and Limitations
Current Pharmaceutical Design·2020· 25 cited
Discovery of a novel kinase hinge binder fragment by dynamic undocking
RSC Medicinal Chemistry·2020· 16 citedOpen Access
Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening
Molecules·2019· 13 citedOpen Access
Front Cover: DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders (ChemMedChem 10/2019)
ChemMedChem·2019Open Access
Prologue
Michigan State University Press eBooks·2019
DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders
ChemMedChem·2019· 23 citedOpen Access
Undocumented: Great Lakes Poets Laureate on Social Justice
2019
A road map for prioritizing warheads for cysteine targeting covalent inhibitors
European Journal of Medicinal Chemistry·2018· 121 cited
Identification of Lactate Dehydrogenase 5 Inhibitors using Pharmacophore- Driven Consensus Docking
Current Bioactive Compounds·2018· 5 citedOpen Access
Comparative Evaluation of Covalent Docking Tools
Journal of Chemical Information and Modeling·2018· 146 cited
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Frequent Co-authors

György M. Keserű(9), György G. Ferenczy(6), Yann‐Vaï Le Bihan(6), Costas Mitsopoulos(5), John Caldwell(5), Dávid Bajusz(4), Habib Bouguenina(4), Hannah Wang(4), Amine Sadok(4), Craig McAndrew(4), Mark Stubbs(4), Fernando J. Sialana(4), Rosemary Burke(4), Rob L. M. van Montfort(4), Rajesh Chopra(4), Ian Collins(4), Stanislav Gobec(3), Moira Rachman(3), Xavier Barril(3), Péter Ábrányi‐Balogh(2)