List of works - Massimo Baroni

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.

scientific article published on 10 September 2015

A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application

scientific article published in March 2007

Chemometric Studies on the Bactericidal Activity of Quinolones via an Extended VolSurf Approach

Comparison of Chemometric Models for QSAR

scholarly article by Gabriele Cruciani et al published 1990 in QSAR and Combinatorial Science

Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase

scientific article published on 01 June 2005

Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors

article

D-Optimal Designs in QSAR

scholarly article by Massimo Baroni et al published 1993 in QSAR and Combinatorial Science

Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow

scientific article published on 13 December 2018

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

scientific article published in January 2013

FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set.

scientific article

From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions.

scientific article published on 14 December 2017

GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation

scientific article published on 21 September 2012

GRID-based three-dimensional pharmacophores II: PharmBench, a benchmark data set for evaluating pharmacophore elucidation methods

scientific article

Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems

scholarly article by Massimo Baroni et al published 1993 in QSAR and Combinatorial Science

High-throughput virtual screening of proteins using GRID molecular interaction fields

scientific article published in January 2010

Molecular interaction fields and 3D-QSAR studies of p53-MDM2 inhibitors suggest additional features of ligand-target interaction

scientific article

Peptide studies by means of principal properties of amino acids derived from MIF descriptors

scholarly article by Gabriele Cruciani et al published March 2004 in Journal of Chemometrics

Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)

article

Predictive ability of regression models. Part II: Selection of the best predictive PLS model

article

Principal component analysis of some oxidative stress parameters and their relationships in hemodialytic and transplanted patients

scientific article published in August 2005

Targeting the conformational transitions of MDM2 and MDMX: insights into dissimilarities and similarities of p53 recognition

scientific article published in October 2008

Virtual screening for novel openers of pancreatic K(ATP) channels

scientific article

List of works by Massimo Baroni

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.

A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application

Chemometric Studies on the Bactericidal Activity of Quinolones via an Extended VolSurf Approach

Comparison of Chemometric Models for QSAR

Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase

Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors

D-Optimal Designs in QSAR

Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set.

From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions.

GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation

GRID-based three-dimensional pharmacophores II: PharmBench, a benchmark data set for evaluating pharmacophore elucidation methods

Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems

High-throughput virtual screening of proteins using GRID molecular interaction fields

Molecular interaction fields and 3D-QSAR studies of p53-MDM2 inhibitors suggest additional features of ligand-target interaction

Peptide studies by means of principal properties of amino acids derived from MIF descriptors

Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)

Predictive ability of regression models. Part II: Selection of the best predictive PLS model

Principal component analysis of some oxidative stress parameters and their relationships in hemodialytic and transplanted patients

Targeting the conformational transitions of MDM2 and MDMX: insights into dissimilarities and similarities of p53 recognition

Virtual screening for novel openers of pancreatic K(ATP) channels