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Ilenia Giangreco

Observed names: Giangreco I, Giangreco, Ilenia, I. Giangreco
ORCID: 0000-0002-3345-0230
Observed ORCID: 0000-0002-3345-0230
OpenAlex ID: A5030577168
Use of molecular docking computational tools in drug discovery
2021 · Francesca Stanzione, Ilenia Giangreco, et al. · Progress in medicinal chemistry · 700
Docking Performance of Fragments and Druglike Compounds
2011 · Marcel L. Verdonk, Ilenia Giangreco, et al. · Journal of Medicinal Chemistry · 133
Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer’s disease
2011 · B. Tasso, M. Catto, et al. · European Journal of Medicinal Chemistry · 75
Design, Synthesis, and Biological Evaluation of Coumarin Derivatives Tethered to an Edrophonium‐like Fragment as Highly Potent and Selective Dual Binding Site Acetylcholinesterase Inhibitors
2010 · Leonardo Pisani, Marco Catto, et al. · ChemMedChem · 66
Improving Quantitative Structure−Activity Relationships through Multiobjective Optimization
2009 · Orazio Nicolotti, Ilenia Giangreco, et al. · Journal of Chemical Information and Modeling · 51
Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9
2012 · Orazio Nicolotti, Marco Catto, et al. · European Journal of Medicinal Chemistry · 50
Strategies of multi-objective optimization in drug discovery and development
2011 · Orazio Nicolotti, Ilenia Giangreco, et al. · Expert Opinion on Drug Discovery · 48
What has scripting ever done for us? The CSD Python application programming interface (API)
2024 · Richard A. Sykes, Natalie T. Johnson, et al. · Journal of Applied Crystallography · 44
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D184E mutation in aquaporin-4 gene impairs water permeability and links to deafness
2011 · G.P. Nicchia, R. Ficarella, et al. · Neuroscience · 33
Protein–Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven “Force Field” for Biomolecular Interactions
2016 · Marcel L. Verdonk, R. Frederick Ludlow, et al. · Journal of Medicinal Chemistry · 28
An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs
2013 · Ilenia Giangreco, David A. Cosgrove, et al. · Journal of Chemical Information and Modeling · 28
Generation of crystal structures using known crystal structures as analogues
2016 · Jason C. Cole, Colin R. Groom, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 23
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Mining the Cambridge Structural Database for Matched Molecular Crystal Structures: A Systematic Exploration of Isostructurality
2017 · Ilenia Giangreco, Jason C. Cole, et al. · Crystal Growth & Design · 18
Assessment of a Cambridge Structural Database-Driven Overlay Program
2014 · Ilenia Giangreco, Tjelvar S. G. Olsson, et al. · Journal of Chemical Information and Modeling · 14
Pharmacophore Binding Motifs for Nicotinamide Adenine Dinucleotide Analogues Across Multiple Protein Families: A Detailed Contact-Based Analysis of the Interaction between Proteins and NAD(P) Cofactors
2013 · Ilenia Giangreco, Martin J. Packer · Journal of Medicinal Chemistry · 12
Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations
2011 · Ilenia Giangreco, Gianluca Lattanzi, et al. · PLoS ONE · 12
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Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering
2010 · Ilenia Giangreco, Orazio Nicolotti, et al. · BMC Bioinformatics · 10
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Discovery of a Potent and Selective Hetero‐Bivalent AChE Inhibitor via Bioisosteric Replacement
2011 · Orazio Nicolotti, Leonardo Pisani, et al. · Molecular Informatics · 9
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model
2010 · Orazio Nicolotti, Ilenia Giangreco, et al. · Journal of Computer-Aided Molecular Design · 7
Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods
2021 · Ilenia Giangreco, Abhik Mukhopadhyay, et al. · Journal of Chemical Information and Modeling · 6
Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis
2017 · Jason C. Cole, Ilenia Giangreco, et al. · Acta Crystallographica Section D Structural Biology · 6
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Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis. Addendum
2017 · Jason C. Cole, Ilenia Giangreco, et al. · Acta Crystallographica Section D Structural Biology · 5
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Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations
2023 · Benoit Baillif, Jason Cole, et al. · Journal of Cheminformatics · 3
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Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand‐ and Structure‐Based Molecular Design
2009 · Orazio Nicolotti, Ilenia Giangreco, et al. · QSAR & Combinatorial Science · 2
Using matched molecular structures in the Cambridge Structural Database for crystal engineering
2016 · Anthony M. Reilly, Ilenia Giangreco, et al. · Acta Crystallographica Section A Foundations and Advances · 1
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Works count: 37
Citation count: 1,384
H-index: 14
I10-index: 17
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