Antonio Lavecchia

Naples, Italy

Last Updated: 09/26/2026

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Found 118 publications

HessFit: Deriving Molecule-Specific Force Fields from Quantum Mechanical Hessians.

HessFit: Deriving Molecule-Specific Force Fields from Quantum Mechanical Hessians.

Journal: Methods in molecular biology (Clifton, N.J.)
Published: August 16, 2026

Corrigendum to "Evaluation of molecular mechanisms of (Z)-3-(pentadec-10'-enyl)-catechol (litreol) and synthetic derivatives as inhibitors of human leukotriene biosynthesis" [Redox Biol. 87 (2025) 103880].

Corrigendum to "Evaluation of molecular mechanisms of (Z)-3-(pentadec-10'-enyl)-catechol (litreol) and synthetic derivatives as inhibitors of human leukotriene biosynthesis" [Redox Biol. 87 (2025) 103880].

Journal: Redox biology
Published: May 22, 2026

Temperature Replica-Exchange Molecular Dynamics Reveals a Heterogeneous Recognition-Compatible Ensemble of the Laminin-Derived Peptide CDPGYIGSR.

Temperature Replica-Exchange Molecular Dynamics Reveals a Heterogeneous Recognition-Compatible Ensemble of the Laminin-Derived Peptide CDPGYIGSR.

Journal: Biomolecules
Published: May 14, 2026

VeGA-RX and VeGA-SCX: Controllable SMARTS-Guided Generative Transformers for Precision-Driven De Novo Drug Design.

VeGA-RX and VeGA-SCX: Controllable SMARTS-Guided Generative Transformers for Precision-Driven De Novo Drug Design.

Journal: Journal of chemical information and modeling
Published: April 17, 2026

In Silico Drug Design and Discovery: Big Data for Small Molecule Design-2nd Edition.

In Silico Drug Design and Discovery: Big Data for Small Molecule Design-2nd Edition.

Journal: Biomolecules
Published: April 10, 2026

Physics-inspired explainable AI for mechanistic and decision support in drug discovery.

Physics-inspired explainable AI for mechanistic and decision support in drug discovery.

Journal: Drug discovery today
Published: January 21, 2026

Artificial Intelligence-Driven Natural Product Drug Discovery: From Computational Genome Mining to Clinical Translation.

Artificial Intelligence-Driven Natural Product Drug Discovery: From Computational Genome Mining to Clinical Translation.

Journal: Medicinal research reviews
Published: January 08, 2026

Retraction of "Artificial Intelligence in Natural Product Drug Discovery: Current Applications and Future Perspectives".

Retraction of "Artificial Intelligence in Natural Product Drug Discovery: Current Applications and Future Perspectives".

Journal: Journal of medicinal chemistry
Published: January 05, 2026

Nuclear Receptor-Targeted Therapies: Reprogramming Metabolism with TRβ, ERRα, and LXR Modulators.

Nuclear Receptor-Targeted Therapies: Reprogramming Metabolism with TRβ, ERRα, and LXR Modulators.

Journal: Biomolecules
Published: December 09, 2025

AI-Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery.

AI-Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery.

Journal: Medicinal research reviews
Published: November 01, 2025

Structural and functional characterization of chemically modified antisense oligonucleotides targeting miR-214-3p in endothelial cells.

Structural and functional characterization of chemically modified antisense oligonucleotides targeting miR-214-3p in endothelial cells.

Journal: Bioorganic chemistry
Published: October 16, 2025

VeGA: A Versatile Generative Architecture for Bioactive Molecules across Multiple Therapeutic Targets.

VeGA: A Versatile Generative Architecture for Bioactive Molecules across Multiple Therapeutic Targets.

Journal: Journal of chemical information and modeling
Published: October 02, 2025
Showing 1-12 of 118

Last Updated: 09/26/2026