List of works - Ilenia Giangreco

An extensive and diverse set of molecular overlays for the validation of pharmacophore programs.

scientific article

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering

scientific article

D184E mutation in aquaporin-4 gene impairs water permeability and links to deafness.

scientific article published on 16 September 2011

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

article by Orazio Nicolotti et al published December 2012 in European Journal of Medicinal Chemistry

Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors

scientific article published on September 2010

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement

scholarly article by Orazio Nicolotti et al published 14 March 2011 in Molecular Informatics

Docking performance of fragments and druglike compounds.

scientific article published on 6 July 2011

Generation of crystal structures using known crystal structures as analogues

scientific article published on 16 July 2016

Improving quantitative structure-activity relationships through multiobjective optimization

scientific article published in October 2009

Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations

scientific article

Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design

Mining the Cambridge Structural Database for Matched Molecular Crystal Structures: A Systematic Exploration of Isostructurality

article published in 2017

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

scientific article published on 26 July 2013

Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions

scientific article published on 29 June 2016

Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer’s disease

scientific article published on 05 March 2011

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

scientific article

Strategies of multi-objective optimization in drug discovery and development

scientific article

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis

scientific article

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis. Addendum

scientific article published on 30 November 2017

List of works by Ilenia Giangreco

An extensive and diverse set of molecular overlays for the validation of pharmacophore programs.

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering

D184E mutation in aquaporin-4 gene impairs water permeability and links to deafness.

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

Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement

Docking performance of fragments and druglike compounds.

Generation of crystal structures using known crystal structures as analogues

Improving quantitative structure-activity relationships through multiobjective optimization

Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations

Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design

Mining the Cambridge Structural Database for Matched Molecular Crystal Structures: A Systematic Exploration of Isostructurality

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

Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions

Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer’s disease

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

Strategies of multi-objective optimization in drug discovery and development

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis. Addendum