Pietro Cozzini
University of Parma
Professor, Chemistry
Italy
My co-authors include
Professor Saverio Alberti
Professor Martino Bolognesi
Professor Alessandro Casnati
My Publications
FADB: a food additive molecular database forin silicoscreening in food toxicology
Food Additives & Contaminants Part A
April 2014
Targeting Cystalysin, a Virulence Factor ofTreponema denticola-Supported Periodontitis
ChemMedChem
March 2014
Preliminary Hazard Evaluation of Androgen Receptor-Mediated Endocrine-Disrupting Effect...
Chemical Research in Toxicology
February 2014
Unintended consequences? Water molecules at biological and crystallographic protein–pro...
Computational Biology and Chemistry
December 2013
Isozyme-Specific Ligands for O-acetylserine sulfhydrylase, a Novel Antibiotic Target
PLoS ONE
October 2013
Correct Protonation States and Relevant Waters = Better Computational Simulations?
Current Pharmaceutical Design
May 2013
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation o...
PLoS ONE
January 2013
Modelling the possible bioactivity of ellagitannin-derived metabolites. In silico tools...
Food & Function
January 2013
Fine tuning of the active site modulates specificity in the interaction of O-acetylseri...
Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
January 2013
In silico approach to evaluate molecular interaction between mycotoxins and the estroge...
Toxicology Letters
October 2012
Erratum to Ponassi R, et al. Cell Cycle Volume 7, Issue 20; pp. 3211-24
Cell Cycle
September 2012
Scoring Functions for Virtual Screening
March 2012
A new approach for investigating protein flexibility based on Constraint Logic Programm...
European Journal of Medicinal Chemistry
March 2012
Preface
January 2012
Chapter 2. The Experimental 3D Structure of Nuclear Receptors. A Starting Point for Com...
January 2012
Chapter 5. Molecular Descriptors for Database Mining. Translating Empirical Chemistry i...
January 2012
Chemogenomics of pyridoxal 5′-phosphate dependent enzymes
Journal of Enzyme Inhibition and Medicinal Chemistry
December 2011
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a...
PLoS ONE
September 2011
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in A...
The Journal of Physical Chemistry
April 2011
Induced Fit Simulations on Nuclear Receptors
Current Topics in Medicinal Chemistry
January 2011
Editorial [Hot topic: Applying Induced Fit in Drug Discovery: Square Pegs and Round Hol...
Current Topics in Medicinal Chemistry
January 2011
Docking and Scoring in Drug Discovery
September 2010
ChemInform Abstract: Synthesis and Properties of Upper Rim C-Linked Peptidocalix[4]arenes.
ChemInform
May 2010
Design of O -Acetylserine Sulfhydrylase Inhibitors by Mimicking Nature
Journal of Medicinal Chemistry
January 2010
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutan...
The Journal of Physical Chemistry
December 2009
How Computational Methods Try to Disclose the Estrogen Receptor Secrecy - Modeling the ...
Current Medicinal Chemistry
August 2009
ChemInform Abstract: Target Flexibility: An Emerging Consideration in Drug Discovery an...
ChemInform
January 2009
Identification of Xenoestrogens in Food Additives by an Integrated in Silico and in Vit...
Chemical Research in Toxicology
January 2009
Mycotoxin Detection Plays “Cops and Robbers”: Cyclodextrin Chemosensors as Specialized ...
International Journal of Molecular Sciences
December 2008
Target Flexibility: An Emerging Consideration in Drug Discovery and Design †
Journal of Medicinal Chemistry
October 2008
A novel Bim-BH3-derived Bcl-XL inhibitor: Biochemical characterization, in vitro, in vi...
Cell Cycle
October 2008
Energy-based prediction of amino acid-nucleotide base recognition
Journal of Computational Chemistry
March 2008
Robust Classification of “Relevant” Water Molecules in Putative Protein Binding Sites
Journal of Medicinal Chemistry
February 2008
Theoretical Calculations of the Catalytic Triad in Short-Chain Alcohol Dehydrogenases/R...
Biophysical Journal
February 2008
Complexity in Modeling and Understanding Protonation States: Computational Titration of...
Chemistry & Biodiversity
November 2007
Explaining cyclodextrin–mycotoxin interactions using a ‘natural’ force field
Bioorganic & Medicinal Chemistry
July 2007
The consequences of scoring docked ligand conformations using free energy correlations
European Journal of Medicinal Chemistry
July 2007
Molecular modeling of binding between amidinobenzisothiazoles, with antidegenerative ac...
Bioorganic & Medicinal Chemistry
February 2007
Allosteric communication between alpha and beta subunits of tryptophan synthase: Modell...
Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
June 2006
Tools for building a comprehensive modeling system for virtual screening under real bio...
Journal of Molecular Graphics and Modelling
May 2006
Mapping the Energetics of Water–Protein and Water–Ligand Interactions with the “Natural...
Journal of Molecular Biology
April 2006
Water: How to evaluate its contribution in protein-ligand interactions
International Journal of Quantum Chemistry
January 2005
Free Energy of Ligand Binding to Protein: Evaluation of the Contribution of Water Molec...
Current Medicinal Chemistry
December 2004
Computational Titration Analysis of a Multiprotic HIV-1 Protease−Ligand Complex
Journal of the American Chemical Society
September 2004
Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. ...
Journal of Medicinal Chemistry
August 2004
Getting it right: modeling of pH, solvent and “nearly” everything else in virtual scree...
Journal of Molecular Graphics and Modelling
July 2004
Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. ...
Journal of Medicinal Chemistry
October 2003
Hydrazones of 1,2-benzisothiazole hydrazides: synthesis, antimicrobial activity and QSA...
European Journal of Medicinal Chemistry
July 2002
Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. ...
Journal of Medicinal Chemistry
June 2002
Self-Assembly and Anion Encapsulation Properties of Cavitand-Based Coordination Cages
Journal of the American Chemical Society
August 2001
ChemInform Abstract: Database of C-Glycosylporphyrins in Web Fashion.
ChemInform
January 2001
HINT predictive analysis of binding between retinol binding protein and hydrophobic lig...
Bioorganic & Medicinal Chemistry Letters
September 2000
Novel allosteric effectors of the tryptophan synthase α2β2 complex identified by comput...
Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology
February 2000
Unusual coordination mode of a 2-pyridyl ketone oxime ligand in bis(4-butylphenyl 2-pyr...
Inorganica Chimica Acta
February 1999
Synthesis, characterisation and conformational studies of lipophilic, amphiphilic and w...
Tetrahedron
July 1998
Nitrenium Ions. Part 3.1 Acid-catalyzed Reactions of 2-tert-Butylindole with Nitrosoare...
Journal of Chemical Research Synopses
January 1998
Ligand behaviour and reactivity of phenyl 2-pyridyl ketone azine. Structures of two pol...
Journal of the Chemical Society Dalton Transactions
January 1998
Nitrenium ions. Part 4.1 Reactivity and crystal structure of 1-methyl-2-phenyl-3-N-benz...
Journal of the Chemical Society Perkin Transactions 2
January 1998
Structure of 3-amino-4,5-dihydropyrazoles in acid media: X-ray structure of 3-amino-1-p...
Journal of the Chemical Society Perkin Transactions 2
January 1995
Conformational analysis of 1,2:5,6:9,10-tribenzocyclododeca-1,5,9-triene by proton NMR ...
The Journal of Organic Chemistry
November 1992
The molecular structure of 6, 8, 6 and related systems
Journal of the Chemical Society Perkin Transactions 2
January 1992
