Stefano Moro

Orcid: 0000-0002-7514-3802

According to our database1, Stefano Moro authored at least 28 papers between 1998 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Online presence:

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Bibliography

2023
Fighting Antimicrobial Resistance: Insights on How the <i>Staphylococcus aureus</i> NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations.
J. Chem. Inf. Model., August, 2023

Uav-Borne Bistatic Sar and Insar Experiments in Support of STV and SDC Target Observables.
Proceedings of the IEEE International Geoscience and Remote Sensing Symposium, 2023

2022
Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2022

Experimental UAV-Aided RSSI Localization of a Ground RF Emitter in 865 MHz and 2.4 GHz Bands.
Proceedings of the 95th IEEE Vehicular Technology Conference, 2022

2020
Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design.
J. Chem. Inf. Model., 2020

A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding.
J. Chem. Inf. Model., 2020

2018
Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.
J. Comput. Aided Mol. Des., 2018

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.
J. Comput. Aided Mol. Des., 2018

2016
Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations.
J. Chem. Inf. Model., 2016

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.
J. Comput. Aided Mol. Des., 2016

2015
Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information.
J. Comput. Aided Mol. Des., 2015

2014
Supervised Molecular Dynamics (SuMD) as a Helpful Tool To Depict GPCR-Ligand Recognition Pathway in a Nanosecond Time Scale.
J. Chem. Inf. Model., 2014

Perturbation of Fluid Dynamics Properties of Water Molecules during G Protein-Coupled Receptor-Ligand Recognition: The Human A<sub>2A</sub> Adenosine Receptor as a Key Study.
J. Chem. Inf. Model., 2014

Bridging Molecular Docking to Membrane Molecular Dynamics To Investigate GPCR-Ligand Recognition: The Human A<sub>2A</sub> Adenosine Receptor as a Key Study.
J. Chem. Inf. Model., 2014

Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A<sub>2A</sub> Receptor as a Case Study.
J. Chem. Inf. Model., 2014

2013
Revisiting a Receptor-Based Pharmacophore Hypothesis for Human A<sub>2A</sub> Adenosine Receptor Antagonists.
J. Chem. Inf. Model., 2013

2011
Swimming into peptidomimetic chemical space using pepMMsMIMIC.
Nucleic Acids Res., 2011

2010
Pharmaceutical Perspectives of Nonlinear QSAR Strategies.
J. Chem. Inf. Model., 2010

Fingerprint-based detection of acute aquatic toxicity.
J. Cheminformatics, 2010

2009
MMsINC: a large-scale chemoinformatics database.
Nucleic Acids Res., 2009

Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates.
J. Chem. Inf. Model., 2009

Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study.
J. Chem. Inf. Model., 2009

PCA-Based Representations of Graphs for Prediction in QSAR Studies.
Proceedings of the Artificial Neural Networks, 2009

2008
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 A<sub>2A</sub> Receptor.
J. Chem. Inf. Model., 2008

MMsINC®: A New Public Large-Scale Chemoinformatics Database System.
Proceedings of the International Conference on Biocomputation, 2008

2007
In Silico Binding Free Energy Predictability by Using the Linear Interaction Energy (LIE) Method: Bromobenzimidazole CK2 Inhibitors as a Case Study.
J. Chem. Inf. Model., 2007

Tandem 3D-QSARs Approach as a Valuable Tool To Predict Binding Affinity Data: Design of New Gly/NMDA Receptor Antagonists as a Key Study.
J. Chem. Inf. Model., 2007

1998
Molecular Modeling Studies of Human A3 Adenosine Antagonists: Structural Homology and Receptor Docking.
J. Chem. Inf. Comput. Sci., 1998


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