Orazio Nicolotti

Publication Activity (10 Years)

Years Active: 2001-2024
Publications (10 Years): 9

Top Topics

Machine Learning

Chemical Compounds

Similarity Measurement

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Cheminformatics

Publications

Muzammil Kabier, Nicola Gambacorta, Daniela Trisciuzzi, Sunil Kumar, Orazio Nicolotti, Bijo Mathew
: A free ready-to-use GUI-based pipeline for molecular docking simulations. J. Comput. Chem. 45 (23, September) (2024)
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
TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity. J. Chem. Inf. Model. 63 (1) (2023)
Nicola Gambacorta, Fulvio Ciriaco, Nicola Amoroso, Cosimo Damiano Altomare, Jürgen Bajorath, Orazio Nicolotti
CIRCE: Web-Based Platform for the Prediction of Cannabinoid Receptor Ligands Using Explainable Machine Learning. J. Chem. Inf. Model. 63 (18) (2023)
Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Gabriele Cruciani, Orazio Nicolotti
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening. J. Chem. Inf. Model. 62 (24) (2022)
Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Ida Autiero, Orazio Nicolotti, Gabriele Cruciani
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions. J. Chem. Inf. Model. 62 (4) (2022)
Fulvio Ciriaco, Nicola Gambacorta, Domenico Alberga, Orazio Nicolotti
Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach. J. Chem. Inf. Model. 61 (10) (2021)
Domenico Alberga, Nicola Gambacorta, Daniela Trisciuzzi, Fulvio Ciriaco, Nicola Amoroso, Orazio Nicolotti
De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization. J. Chem. Inf. Model. 60 (10) (2020)
Domenico Alberga, Daniela Trisciuzzi, Michele Montaruli, Francesco Leonetti, Giuseppe Mangiatordi, Orazio Nicolotti
A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL). J. Chem. Inf. Model. 59 (1) (2019)
Daniela Trisciuzzi, Domenico Alberga, Kamel Mansouri, Richard S. Judson, Ettore Novellino, Giuseppe Felice Mangiatordi, Orazio Nicolotti
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals. J. Chem. Inf. Model. 57 (11) (2017)
Daimel Castillo-González, Jean-Louis Mergny, Aurore De Rache, Gisselle Pérez-Machado, Miguel Ángel Cabrera-Pérez, Orazio Nicolotti, Antonellina Introcaso, Giuseppe 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
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands. J. Chem. Inf. Model. 55 (10) (2015)
Matteo Floris, Alberto Manganaro, Orazio Nicolotti, Ricardo Medda, Giuseppe Mangiatordi, Emilio Benfenati
A generalizable definition of chemical similarity for read-across. J. Cheminformatics 6 (1) (2014)
Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Marino Convertino, Francesco Leonetti, Leonardo Pisani, Angelo Carotti
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model. J. Comput. Aided Mol. Des. 24 (2) (2010)
Ilenia Giangreco, Orazio Nicolotti, Angelo Carotti, Francesco De Carlo, Gianfranco Gargano, Roberto Bellotti
Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering. BMC Bioinform. 11 (2010)
Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Angelo Carotti
Improving Quantitative Structure-Activity Relationships through Multiobjective Optimization. J. Chem. Inf. Model. 49 (10) (2009)
Orazio Nicolotti, Teresa Fabiola Miscioscia, Andrea Carotti, Francesco Leonetti, Angelo Carotti
An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors. J. Chem. Inf. Model. 48 (6) (2008)
Orazio Nicolotti, Teresa Fabiola Miscioscia, Francesco Leonetti, Giovanni Muncipinto, Angelo Carotti
Screening of Matrix Metalloproteinases Available from the Protein Data Bank: Insights into Biological Functions, Domain Organization, and Zinc Binding Groups. J. Chem. Inf. Model. 47 (6) (2007)
Orazio Nicolotti, Angelo Carotti
QSAR and QSPR Studies of a Highly Structured Physicochemical Domain. J. Chem. Inf. Model. 46 (1) (2006)
Orazio Nicolotti, Marialuisa Pellegrini-Calace, Antonio Carrieri, Cosimo Altomare, Nuria B. Centeno, Ferran Sanz, Andrea Carotti
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. 15 (12) (2001)
Orazio Nicolotti, Marialuisa Pellegrini-Calace, Antonio Carrieri, Cosimo Altomare, Nuria B. Centeno, Ferran Sanz, Andrea Carotti
Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore. J. Comput. Aided Mol. Des. 15 (9) (2001)