Rino Ragno

20 papers Journal 20
YearRankTypeTitle / Venue / Authors
2026 J jnl
Combined computational and classical medicinal chemistry procedure to disclose novel pyrrole-based compounds as potential antituberculosis agents.
J. Comput. Aided Mol. Des.
Rino Ragno, Clemens Zwergel, Sergio Valente, Roberta Astolfi, Chiara Lambona, Eleonora Proia, Lidia Giuliani, Scott G. Franzblau, Rossella Fioravanti, Antonello Mai
2025 J jnl
Essential Oils as Antimicrobials against
J. Chem. Inf. Model.
Roberta Astolfi, Alessandra Oliva, Antonio Raffo, Filippo Sapienza, Alessio Ragno, Eleonora Proia, Claudio M. Mastroianni, Cristina Luceri, Mijat Bozovic, Milan Mladenovic, Rosanna Papa, Patrizia Bottoni, Elena Mazzinelli, Giuseppina Nocca, Rino Ragno
2024 J jnl
Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening.
Mach. Learn.
Michela Proietti, Alessio Ragno, Biagio La Rosa, Rino Ragno, Roberto Capobianco
2022 J jnl
Bovine Serum Amine Oxidase and Polyamine Analogues: Chemical Synthesis and Biological Evaluation Integrated with Molecular Docking and 3-D QSAR Studies.
J. Chem. Inf. Model.
Rino Ragno, Anna Minarini, Eleonora Proia, Lorenzo Antonini, Andrea Milelli, Vincenzo Tumiatti, Marco Fiore, Pasquale Fino, Lavinia Rutigliano, Rossella Fioravanti, Tomoaki Tahara, Elena Pacella, Antonio Greco, Gianluca Canettieri, Maria Luisa Di Paolo, Enzo Agostinelli
2022 J jnl
Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal.
J. Comput. Aided Mol. Des.
Eleonora Proia, Alessio Ragno, Lorenzo Antonini, Manuela Sabatino, Milan Mladenovic, Roberto Capobianco, Rino Ragno
2021 J jnl
Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure-Based and Ligand-Based Studies.
J. Chem. Inf. Model.
Nezrina Mihovic, Nevena Tomasevic, Sanja Matic, Marina M. Mitrovic, Danijela A. Kostic, Manuela Sabatino, Lorenzo Antonini, Rino Ragno, Milan Mladenovic
2019 J jnl
www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices - the Py-CoMFA web application as tool to build models from pre-aligned datasets.
J. Comput. Aided Mol. Des.
Rino Ragno
2018 J jnl
Disruptor of telomeric silencing 1-like (DOT1L): disclosing a new class of non-nucleoside inhibitors by means of ligand-based and structure-based approaches.
J. Comput. Aided Mol. Des.
Manuela Sabatino, Dante Rotili, Alexandros Patsilinakos, Mariantonietta Forgione, Daniela Tomaselli, Fréderic Alby, Paola B. Arimondo, Antonello Mai, Rino Ragno
2017 J jnl
Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2
J. Chem. Inf. Model.
Milan Mladenovic, Alexandros Patsilinakos, Adele Pirolli, Manuela Sabatino, Rino Ragno
2015 J jnl
Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches.
J. Comput. Aided Mol. Des.
Rino Ragno, Flavio Ballante, Adele Pirolli, Richard B. Wickersham III, Alexandros Patsilinakos, Stéphanie Hesse, Enrico Perspicace, Gilbert Kirsch
2014 J jnl
Hsp90 Inhibitors, Part 1: Definition of 3-D QSAutogrid/R Models as a Tool for Virtual Screening.
J. Chem. Inf. Model.
Flavio Ballante, Antonia Caroli, Richard B. Wickersham III, Rino Ragno
2014 J jnl
Hsp90 Inhibitors, Part 2: Combining Ligand-Based and Structure-Based Approaches for Virtual Screening Application.
J. Chem. Inf. Model.
Antonia Caroli, Flavio Ballante, Richard B. Wickersham III, Federico Corelli, Rino Ragno
2013 J jnl
Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents.
J. Chem. Inf. Model.
Laura Friggeri, Flavio Ballante, Rino Ragno, Ira Musmuca, Daniela de Vita, Fabrizio Manetti, Mariangela Biava, Luigi Scipione, Roberto Di Santo, Roberta Costi, Marta Feroci, Silvano Tortorella
2012 J jnl
3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications.
J. Chem. Inf. Model.
Flavio Ballante, Rino Ragno
2012 J jnl
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases.
J. Comput. Aided Mol. Des.
Flavio Ballante, Ira Musmuca, Garland R. Marshall, Rino Ragno
2012 J jnl
Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction.
J. Chem. Inf. Model.
Laura Silvestri, Flavio Ballante, Antonello Mai, Garland R. Marshall, Rino Ragno
2010 J jnl
Combining 3-D Quantitative Structure-Activity Relationship with Ligand Based and Structure Based Alignment Procedures for
J. Chem. Inf. Model.
Ira Musmuca, Antonia Caroli, Antonello Mai, Neerja Kaushik-Basu, Payal Arora, Rino Ragno
2009 J jnl
Small-Molecule Interferon Inducers. Toward the Comprehension of the Molecular Determinants through Ligand-Based Approaches.
J. Chem. Inf. Model.
Ira Musmuca, Silvia Simeoni, Antonia Caroli, Rino Ragno
2006 J jnl
3-D QSAR Studies on Histone Deacetylase Inhibitors. A GOLPE/GRID Approach on Different Series of Compounds.
J. Chem. Inf. Model.
Rino Ragno, Silvia Simeoni, Sergio Valente, Silvio Massa, Antonello Mai
2006 J jnl
A Combination of Molecular Dynamics and Docking Calculations to Explore the Binding Mode of ADS-J1, a Polyanionic Compound Endowed with Anti-HIV-1 Activity.
J. Chem. Inf. Model.
Fabrizio Manetti, Cristina Tintori, Mercedes Armand-Ugón, Imma Clotet-Codina, Silvio Massa, Rino Ragno, José A. Esté, Maurizio Botta