Stefano Moro

发表

Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design

Enrico Margiotta, Stephanie C. C. van der Lubbe, Lucas de Azevedo Santos, 2020, J. Chem. Inf. Model..

Swimming into peptidomimetic chemical space using pepMMsMIMIC

Matteo Floris, Stefano Moro, Joel Masciocchi, 2011, Nucleic Acids Res..

Tandem 3D-QSARs approach as a valuable tool to predict binding affinity data: design of new Gly/NMDA receptor antagonists as a key study.

Stefano Moro, Magdalena Bacilieri, Flavia Varano, 2007, Journal of chemical information and modeling.

Revisiting a Receptor-Based Pharmacophore Hypothesis for Human A2A Adenosine Receptor Antagonists

Stefano Moro, Ettore Novellino, Sandro Cosconati, 2013, J. Chem. Inf. Model..

Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information

Qiang Zhao, Stefano Moro, Christa E. Müller, 2015, Journal of Computer-Aided Molecular Design.

Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates

Johann Gasteiger, Stefano Moro, Lothar Terfloth, 2009, J. Chem. Inf. Model..

PCA-Based Representations of Graphs for Prediction in QSAR Studies

Alessandro Sperduti, Stefano Moro, Riccardo Cardin, 2009, ICANN.

In Silico Binding Free Energy Predictability by Using the Linear Interaction Energy (LIE) Method: Bromobenzimidazole CK2 Inhibitors as a Case Study

Stefano Moro, Andrea Bortolato, S. Moro, 2007, J. Chem. Inf. Model..

MMsINC®: A New Public Large-Scale Chemoinformatics Database System

Patricia Rodriguez-Tomé, Stefano Moro, Joel Masciocchi, 2008, 2008 International Conference on Biocomputation, Bioinformatics, and Biomedical Technologies.

Bridging Molecular Docking to Membrane Molecular Dynamics To Investigate GPCR-Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study

Stefano Moro, Antonella Ciancetta, Davide Sabbadin, 2014, J. Chem. Inf. Model..

Molecular Modeling Studies of Human A3 Adenosine Antagonists: Structural Homology and Receptor Docking

Stefano Moro, Kenneth A. Jacobson, An-Hu Li, 1998, J. Chem. Inf. Comput. Sci..

MMsINC: a large-scale chemoinformatics database

Patricia Rodriguez-Tomé, Luca Pireddu, Matteo Floris, 2008, Nucleic Acids Res..

Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench

Enrico Margiotta, Stefano Moro, Giuseppe Deganutti, 2018, Journal of Computer-Aided Molecular Design.

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015

Stefano Moro, Alberto Cuzzolin, Veronica Salmaso, 2016, Journal of Computer-Aided Molecular Design.

Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview

Stefano Moro, Veronica Salmaso, S. Moro, 2018, Front. Pharmacol..

A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding

Stefano Moro, Christopher A. Reynolds, Giuseppe Deganutti, 2020, J. Chem. Inf. Model..

Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study

Dimitar Hristozov, Johann Gasteiger, Stefano Moro, 2009, J. Chem. Inf. Model..

Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A2A Receptor

Stefano Moro, Magdalena Bacilieri, Chosei Kaseda, 2008, J. Chem. Inf. Model..

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2

Stefano Moro, Alberto Cuzzolin, Veronica Salmaso, 2017, Journal of Computer-Aided Molecular Design.

Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A2A Receptor as a Case Study

Stefano Moro, Antonella Ciancetta, Alberto Cuzzolin, 2014, J. Chem. Inf. Model..

Fingerprint-based detection of acute aquatic toxicity

Patricia Rodriguez-Tomé, Luca Pireddu, Stefano Moro, 2010, J. Cheminformatics.

Pharmaceutical Perspectives of Nonlinear QSAR Strategies

Stefano Moro, Lisa Michielan, S. Moro, 2010, J. Chem. Inf. Model..

DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations

Stefano Moro, Rino Ragno, Antonella Ciancetta, 2015, Molecules.

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

Stefano Moro, Antonella Ciancetta, Davide Sabbadin, 2016, J. Chem. Inf. Model..

Supervised Molecular Dynamics (SuMD) as a Helpful Tool To Depict GPCR-Ligand Recognition Pathway in a Nanosecond Time Scale

Stefano Moro, Davide Sabbadin, S. Moro, 2014, J. Chem. Inf. Model..

Perturbation of Fluid Dynamics Properties of Water Molecules during G Protein-Coupled Receptor-Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study

Stefano Moro, Antonella Ciancetta, Davide Sabbadin, 2014, J. Chem. Inf. Model..