Orazio Nicolotti

According to our database, Orazio Nicolotti authored at least 19 papers between 2001 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

<i>MzDOCK</i>: A free ready-to-use GUI-based pipeline for molecular docking simulations.

Muzammil Kabier, Nicola Gambacorta, Daniela Trisciuzzi, Sunil Kumar, Orazio Nicolotti, Bijo Mathew

J. Comput. Chem., 2024

2023

CIRCE: Web-Based Platform for the Prediction of Cannabinoid Receptor Ligands Using Explainable Machine Learning.

Nicola Gambacorta, Fulvio Ciriaco, Nicola Amoroso, Cosimo Damiano Altomare, Jürgen Bajorath, Orazio Nicolotti

J. Chem. Inf. Model., September, 2023

TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity.

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

J. Chem. Inf. Model., 2023

2022

An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening.

Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Gabriele Cruciani, Orazio Nicolotti

J. Chem. Inf. Model., 2022

Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions.

Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Ida Autiero, Orazio Nicolotti, Gabriele Cruciani

J. Chem. Inf. Model., 2022

2021

Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach.

Fulvio Ciriaco, Nicola Gambacorta, Domenico Alberga, Orazio Nicolotti

J. Chem. Inf. Model., 2021

2020

De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization.

Domenico Alberga, Nicola Gambacorta, Daniela Trisciuzzi, Fulvio Ciriaco, Nicola Amoroso, Orazio Nicolotti

J. Chem. Inf. Model., 2020

2019

A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL).

Domenico Alberga, Daniela Trisciuzzi, Michele Montaruli, Francesco Leonetti, Giuseppe Felice Mangiatordi, Orazio Nicolotti

J. Chem. Inf. Model., 2019

2017

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals.

Daniela Trisciuzzi, Domenico Alberga, Kamel Mansouri, Richard S. Judson, Ettore Novellino, Giuseppe Felice Mangiatordi, Orazio Nicolotti

J. Chem. Inf. Model., November, 2017

2015

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands.

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

J. Chem. Inf. Model., 2015

2014

A generalizable definition of chemical similarity for read-across.

Matteo Floris, Alberto Manganaro, Orazio Nicolotti, Ricardo Medda, Giuseppe Felice Mangiatordi, Emilio Benfenati

J. Cheminformatics, 2014

2010

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model.

Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Marino Convertino, Francesco Leonetti, Leonardo Pisani, Angelo Carotti

J. Comput. Aided Mol. Des., 2010

Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering.

Ilenia Giangreco, Orazio Nicolotti, Angelo Carotti, Francesco De Carlo, Gianfranco Gargano, Roberto Bellotti

BMC Bioinform., 2010

2009

Improving Quantitative Structure-Activity Relationships through Multiobjective Optimization.

Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Angelo Carotti

J. Chem. Inf. Model., 2009

2008

An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors.

Orazio Nicolotti, Teresa Fabiola Miscioscia, Andrea Carotti, Francesco Leonetti, Angelo Carotti

J. Chem. Inf. Model., 2008

2007

Screening of Matrix Metalloproteinases Available from the Protein Data Bank: Insights into Biological Functions, Domain Organization, and Zinc Binding Groups.

Orazio Nicolotti, Teresa Fabiola Miscioscia, Francesco Leonetti, Giovanni Muncipinto, Angelo Carotti

J. Chem. Inf. Model., 2007

2006

QSAR and QSPR Studies of a Highly Structured Physicochemical Domain.

Orazio Nicolotti, Angelo Carotti

J. Chem. Inf. Model., 2006

2001

Erratum to 'Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore' [J. Comput. Aid. Mol. Des., Vol. 15 (2001) 859].

Orazio Nicolotti, Marialuisa Pellegrini-Calace, Antonio Carrieri, Cosimo Damiano Altomare, Nuria B. Centeno, Ferran Sanz, Andrea Carotti

J. Comput. Aided Mol. Des., 2001

Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore.

Orazio Nicolotti, Marialuisa Pellegrini-Calace, Antonio Carrieri, Cosimo Damiano Altomare, Nuria B. Centeno, Ferran Sanz, Andrea Carotti

J. Comput. Aided Mol. Des., 2001