Orazio Nicolotti

21 papers Journal 21
YearRankTypeTitle / Venue / Authors
2026 J jnl
Early AI-driven repurposing study of existing drugs towards the vasopressin V2 receptor.
Comput. Biol. Medicine
Daniela Trisciuzzi, Ines Angelini, Nicola Gambacorta, Mariangela Centrone, Fulvio Ciriaco, Lydia Siragusa, Annarita Di Mise, Marianna Ranieri, Giovanna Valenti, Nicoletta Guaragnella, Cosimo Damiano Altomare, Susanna Cotecchia, Grazia Tamma, Orazio Nicolotti
2025 J jnl
Chemical Space Networks Enhance Toxicity Recognition via Graph Embedding.
J. Chem. Inf. Model.
Fabrizio Mastrolorito, Nicola Gambacorta, Fulvio Ciriaco, Francesca Cutropia, Maria Vittoria Togo, Valentina Belgiovine, Anna Rita Tondo, Daniela Trisciuzzi, Alfonso Monaco, Roberto Bellotti, Cosimo Damiano Altomare, Orazio Nicolotti, Nicola Amoroso
2025 J jnl
PoseidonQ: A Free Machine Learning Platform for the Development, Analysis, and Validation of Efficient and Portable QSAR Models for Drug Discovery.
J. Chem. Inf. Model.
Muzammil Kabier, Nicola Gambacorta, Fulvio Ciriaco, Fabrizio Mastrolorito, Sunil Kumar, Bijo Mathew, Orazio Nicolotti
2023 J jnl
CIRCE: Web-Based Platform for the Prediction of Cannabinoid Receptor Ligands Using Explainable Machine Learning.
J. Chem. Inf. Model.
Nicola Gambacorta, Fulvio Ciriaco, Nicola Amoroso, Cosimo Damiano Altomare, Jürgen Bajorath, Orazio Nicolotti
2023 J jnl
TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity.
J. Chem. Inf. Model.
Maria Vittoria Togo, Fabrizio Mastrolorito, Fulvio Ciriaco, Daniela Trisciuzzi, Anna Rita Tondo, Nicola Gambacorta, Loredana Bellantuono, Alfonso Monaco, Francesco Leonetti, Roberto Bellotti, Cosimo Damiano Altomare, Nicola Amoroso, Orazio Nicolotti
2022 J jnl
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening.
J. Chem. Inf. Model.
Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Gabriele Cruciani, Orazio Nicolotti
2022 J jnl
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions.
J. Chem. Inf. Model.
Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Ida Autiero, Orazio Nicolotti, Gabriele Cruciani
2021 J jnl
Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach.
J. Chem. Inf. Model.
Fulvio Ciriaco, Nicola Gambacorta, Domenico Alberga, Orazio Nicolotti
2020 J jnl
De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization.
J. Chem. Inf. Model.
Domenico Alberga, Nicola Gambacorta, Daniela Trisciuzzi, Fulvio Ciriaco, Nicola Amoroso, Orazio Nicolotti
2019 J jnl
A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL).
J. Chem. Inf. Model.
Domenico Alberga, Daniela Trisciuzzi, Michele Montaruli, Francesco Leonetti, Giuseppe Felice Mangiatordi, Orazio Nicolotti
2017 J jnl
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals.
J. Chem. Inf. Model.
Daniela Trisciuzzi, Domenico Alberga, Kamel Mansouri, Richard S. Judson, Ettore Novellino, Giuseppe Felice Mangiatordi, Orazio Nicolotti
2015 J jnl
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands.
J. Chem. Inf. Model.
Daimel Castillo-González, Jean-Louis Mergny, Aurore De Rache, Gisselle Pérez-Machado, Miguel Ángel Cabrera-Pérez, Orazio Nicolotti, Antonellina Introcaso, Giuseppe Felice Mangiatordi, Aurore Guédin, Anne Bourdoncle, Teresa M. Garrigues, Federico Pallardó, M. Natália Dias Soeiro Cordeiro, Cesar Paz-y-Miño, Eduardo Tejera, Fernanda Borges, Maykel Cruz-Monteagudo
2014 J jnl
A generalizable definition of chemical similarity for read-across.
J. Cheminformatics
Matteo Floris, Alberto Manganaro, Orazio Nicolotti, Ricardo Medda, Giuseppe Felice Mangiatordi, Emilio Benfenati
2010 J jnl
Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering.
BMC Bioinform.
Ilenia Giangreco, Orazio Nicolotti, Angelo Carotti, Francesco De Carlo, Gianfranco Gargano, Roberto Bellotti
2010 J jnl
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model.
J. Comput. Aided Mol. Des.
Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Marino Convertino, Francesco Leonetti, Leonardo Pisani, Angelo Carotti
2009 J jnl
Improving Quantitative Structure-Activity Relationships through Multiobjective Optimization.
J. Chem. Inf. Model.
Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Angelo Carotti
2008 J jnl
An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors.
J. Chem. Inf. Model.
Orazio Nicolotti, Teresa Fabiola Miscioscia, Andrea Carotti, Francesco Leonetti, Angelo Carotti
2007 J jnl
Screening of Matrix Metalloproteinases Available from the Protein Data Bank: Insights into Biological Functions, Domain Organization, and Zinc Binding Groups.
J. Chem. Inf. Model.
Orazio Nicolotti, Teresa Fabiola Miscioscia, Francesco Leonetti, Giovanni Muncipinto, Angelo Carotti
2006 J jnl
QSAR and QSPR Studies of a Highly Structured Physicochemical Domain.
J. Chem. Inf. Model.
Orazio Nicolotti, Angelo Carotti
2001 J jnl
Erratum to 'Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore' [J. Comput. Aid. Mol. Des., Vol. 15 (2001) 859].
J. Comput. Aided Mol. Des.
Orazio Nicolotti, Marialuisa Pellegrini-Calace, Antonio Carrieri, Cosimo Damiano Altomare, Nuria B. Centeno, Ferran Sanz, Andrea Carotti
2001 J jnl
Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore.
J. Comput. Aided Mol. Des.
Orazio Nicolotti, Marialuisa Pellegrini-Calace, Antonio Carrieri, Cosimo Damiano Altomare, Nuria B. Centeno, Ferran Sanz, Andrea Carotti