Carmine Talarico

Dompé (Italy) — Italy

Computer Science · Physical Sciences

20h-index1.2kcitations91works3.62yr avg
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Research Topics

Computational Drug Discovery Methods(35), SARS-CoV-2 and COVID-19 Research(20), Protein Structure and Dynamics(12), Genetics, Bioinformatics, and Biomedical Research(9), COVID-19 Clinical Research Studies(8)

Publications91 total

Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose Selection
2026Open Access
Enabling HPC-Accelerated Virtual Screening for Drug Discovery through the LEXIS Platform
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Enabling HPC-Accelerated Virtual Screening for Drug Discovery through the LEXIS Platform
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Dysregulation of human ClpP using small molecules with piperazine-based scaffold for diffuse intrinsic pontine glioma therapy validated by patient-derived tumor organoids
2026Open Access
PANTHER Score: Protein-Affinity for Nucleic Target-binding, Hybridization, and Energy Regression
RNA·2025Open Access
GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators
Scientific Reports·2025Open Access
Dual-Site Inhibition of SARS-CoV-2 RNA-Dependent RNA Polymerase by Small Molecules Able to Block Viral Replication Identified through a Computer-Aided Drug Discovery Approach
ACS Infectious Diseases·2025· 1 citedOpen Access
Transformation of a Potent C9-Substituted Phenylmorphan into MOR Partial Agonists with Improvement of Metabolic Stability: An In Vitro, In Vivo, and In Silico Study
ACS Chemical Neuroscience·2025
Computational drug repurposing: approaches, evaluation of in silico resources and case studies
Nature Reviews Drug Discovery·2025· 49 cited
GENEOnet: statistical analysis supporting explainability and trustworthiness
Statistics·2025· 4 citedOpen Access
Integrating Surface Plasmon Resonance and Docking Analysis for Mechanistic Insights of Tryptase Inhibitors
Molecules·2025Open Access
Novel method for prioritizing protein binding sites using pocket analysis and MD simulations
Heliyon·2025Open Access
Cys44 of SARS-CoV-2 3CLpro affects its catalytic activity
International Journal of Biological Macromolecules·2025· 6 citedOpen Access
Prototypical Explanations in an AI Method for Protein Pocket Detection
2025
Single particle reconstruction of human apo TRPM8 channel in a closed state
EMPIAR dataset·2024Open Access
Approaching Pharmacological Space: Events and Components
Methods in molecular biology·2024· 1 cited
LIGATE - LIgand Generator and portable drug discovery platform AT Exascale
2024· 1 citedOpen Access
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative
International Journal of Molecular Sciences·2023· 3 citedOpen Access
SiteMap pockets for the PDBbind dataset
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
SiteMap pockets for the PDBbind dataset
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
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Frequent Co-authors

Andrea R. Beccari(33), Candida Manelfi(21), Stefano Alcaro(14), Anna Artese(12), Daniela Iaconis(11), Isabella Romeo(11), Federica Moraca(10), Marcello Allegretti(9), Roberta Rocca(9), Giosuè Costa(9), Francesco Ortuso(9), Giulio Vistoli(8), Enzo Tramontano(7), Philip Gribbon(7), Silvia Gervasoni(7), Alessandro Pedretti(7), Angela Corona(6), Giulia Rossetti(6), Jonas Goßen(6), Simone Albani(6)