Rino Ragno
Orcid: 0000-0001-5399-975X
According to our database1,
Rino Ragno
authored at least 18 papers
between 2006 and 2024.
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Bibliography
2024
Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening.
Mach. Learn., April, 2024
2022
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., 2022
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., 2022
2021
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., 2021
2019
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., 2019
2018
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., 2018
2017
Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2<i>H</i>-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models.
J. Chem. Inf. Model., 2017
2015
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., 2015
2014
Hsp90 Inhibitors, Part 2: Combining Ligand-Based and Structure-Based Approaches for Virtual Screening Application.
J. Chem. Inf. Model., 2014
Hsp90 Inhibitors, Part 1: Definition of 3-D QSAutogrid/R Models as a Tool for Virtual Screening.
J. Chem. Inf. Model., 2014
2013
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., 2013
2012
Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction.
J. Chem. Inf. Model., 2012
3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications.
J. Chem. Inf. Model., 2012
J. Comput. Aided Mol. Des., 2012
2010
Combining 3-D Quantitative Structure-Activity Relationship with Ligand Based and Structure Based Alignment Procedures for <i>in Silico</i> Screening of New Hepatitis C Virus NS5B Polymerase Inhibitors.
J. Chem. Inf. Model., 2010
2009
Small-Molecule Interferon Inducers. Toward the Comprehension of the Molecular Determinants through Ligand-Based Approaches.
J. Chem. Inf. Model., 2009
2006
3-D QSAR Studies on Histone Deacetylase Inhibitors. A GOLPE/GRID Approach on Different Series of Compounds.
J. Chem. Inf. Model., 2006
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., 2006