2011

PUBBLICAZIONI

Chemoinformatica - Soluzioni e strumenti per scienze e tecnologie biomediche, M. Mabilia, M. Bacilieri, A. Bassan, L. Broccardo, E. Fioravanzo, S. Moro, L. Sartori, M. Stocchero, Springer-Verlag Italia, novembre 2011
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E. Schievano¹, M. Stocchero², E. Morelato¹, C. Facchin¹, S. Mammi¹
(1) Dipartimento di Scienze Chimiche, Universita` di Padova, Via Marzolo, 1, Padua 35131, Italy, (2) S-IN Soluzioni Informatiche, Via Ferrari 14, 36100 Vicenza, Italy
An NMR-based metabolomic approach to identify the botanical origin of honey
Metabolomics DOI:10.1007/s11306-011-0362-8
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LECTURE

Arianna Bassan, Elena Fioravanzo, Post-processing of docked protein: rank-ordering of ligands in structure-based drug design, Computationally Driven Drug Discovery Meeting, CDDD Meeting, L'Aquila, 21-23 Nov 2011
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Elena Fioravanzo, Role of in silico Genotoxicity Tools in the Regulatory Assessment of Phamaceutical Impurities, 6th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources – CMTPI 2011,  Maribor (Slovenia), 3-7 Sept 2011
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Manuela Pavan, Arianna Bassan, Elena Fioravanzo and Matteo Stocchero, Contract: Preparation of a report on applicability of physicochemical data, QSARs and read-across in Threshold of Toxicological Concern assessment, Workshop on the Threshold of Toxicological Concern: Scientific challenges and approaches, Brussels, 8-10 June
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Manuela Pavan, Arianna Bassan and Elena Fioravanzo, Threshold of Toxicological Concern Assessment: investigation of possible improvements by means of in silico methods, SETAC Europe 21st Annual Meeting,  Milan, 15-19 May
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2010

PUBBLICAZIONI

Spettroscopia NIR e Analisi Multivariata, La Chimica e l'Industria, 7, settembre 2010
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A. Zamboni, M. Di Carli, F. Guzzo, M. Stocchero, S. Zenoni, A. Ferrarini, P. Tononi, K. Toffali, A. Desiderio, K.S. Lilley, M.E. Pè, E. Benvenuto, M. Delledonne, M. Pezzotti, Identification of putative stage-specific grapevine berry biomarkers and omics data integration into networks
Plant Physiology DOI:10.1104/pp.110.160275
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Debora Paris, Dominique Melck, Matteo Stocchero, Oceania D’Apolito, Rosa Calemma, Giuseppe Castello, Francesco Izzo, Giuseppe Palmieri, Gaetano Corso and Andrea Motta, Monitoring liver alterations during hepatic tumorigenesis by NMR profiling and pattern recognition, Metabolomics DOI: 10.1007/s11306-010-0209-8
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R. Consonni, L. R. Cagliani, M. Stocchero and S. Porretta, Evaluation of the Production Year in Italian and Chinese Tomato Paste for Geographical Determination Using O2PLS Models, J. Agric. Food Chem. DOI: 10.1021/jf100949k
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Strumenti informatici per la cromatografia: l'ambiente di lavoro ACD/Labs, LAB, aprile 2010, 47
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LECTURE

Elena Fioravanzo, Manuela Pavan, Statistically-based methods, COMPUTOX Workshop on the applicability of QSARs and computational approaches in chemical risk assessment,  Brussels, 30 September - 1 October
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Elena Fioravanzo, Sue Barlow, Arianna Bassan, Alan Boobis, Manuela Pavan, Andrew Worth, Chihae Yang, Investigation of the Possible Use Of in SilicoMethods to Improve the Threshold of Toxicological Concern Approach, 18th European Symposium on Quantitative Structure Activity Relationships, Rhodes, Greece, 19-24 September 2010
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Filippo Magnaguagno, Chemistry Related Data Management, Third European Workshop in Drug Synthesis (http://www.unisi.it/eventi/ewds/), Certosa di Pontignano (SI), 23-27 maggio 2010
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2009

ARTICOLO - Donatella Potenza, Laura Belvisi, Elena Fioravanzo, Analisi NMR delle interazioni tra peptidomimetici e proteine di membrana in cellule intatte
NCF, novembre 2009, 82.
Link all'articolo
http://www.rivistedigitali.com/Notiziario_chimico_farmaceutico/2009/9/?targetPagNum=082

ARTICOLO -  R. Consonni, L. R. Cagliani, M. Stocchero, and S. Porretta, Concentrated Tomato Paste: Discrimination between Italian and Chinese Products, J. Agric. Food Chem. 57 (11) (2009) 4506–4513
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LECTURE - Elena Fioravanzo, Arianna Bassan, Matteo Stocchero, Latent variables modeling in metabonomics: a case study, MipTec 2009 (http://www.miptec.com/), Basilea 13-15 ottobre 2009.
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POSTER - Elena Fioravanzo, Maria Alessandra Alisi, Arianna Bassan, Nicola Cazzolla, Rosella Ombrato, Gaia Corso, Design of Target-Focused Libraries for Virtual Screening, MipTec 2009 (http://www.miptec.com/), Basilea 13-15 ottobre 2009.
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POSTER - Arianna Bassan and Elena Fioravanzo, Application of structure-activity relationships in the chemical hazard assessment, MipTec 2009 (http://www.miptec.com/), Basilea 13-15 ottobre 2009.
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LECTURE - Arianna Bassan, A Collection of in Silico Tools for Generating non-Testing Data for Chemical Hazard Assessment, Second OSIRIS training course, Milano 23-25 settembre 2009.
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LECTURE - Elena Fioravanzo, Arianna Bassan, Matteo Stocchero, Automated Workflows for Hazard Assessment, OpenTox Workshop: Satisfying REACH Requirements in Predictive Toxicology, Roma 10-11 settembre 2009.
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LECTURE - Arianna Bassan, Application of Structure-Activity Relationships in REACH-compliant Chemical Hazard Assessment, ADMET workshop, Oxford 05-10 luglio 2009.
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LECTURE - Arianna Bassan, Application of Structure-Activity Relationships in REACH-compliant Chemical Hazard Assessment, SCI 2009: L'energia chimica muove la vita, Sorrento 05-10 luglio 2009.
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LECTURE - Elena Fioravanzo, Arianna Bassan, Application of Structure-Activity Relationships in the Chemical Hazard Assessment, CMTPI 2009 : Fifth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Istambul 04-08 luglio 2009.
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POSTER - ACD/Workflow Manager, Design custom workflows and integrate with databasing applications to manage analytical data and samples, 49° Simposio AFI, Rimini 10-12 giugno 2009
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2008

POSTER - Elena Fioravanzo, Nicola Cazzolla, Massimo Mabilia, Rosella Ombrato, Marco Daniele Parenti, Matteo Stocchero, "Combining In Silico Models To Develop More Accurate Classification Schemes In A Single Workflow To Predict Cyp3a4 Inhibition And Herg K+ Channel Affinities", Euro-qsar 2008, Septembre 21-26, 2008, Uppsala, Sweden.
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LECTURE - Elena Fioravanzo, Maria Alessandra Alisi, Nicola Cazzolla, Massimo Mabilia, Francesca Mancini, Giorgina Mangano, Caterina Maugeri, Donato Mosca, Rosella Ombrato, Marco Parenti and Marco Vitello,, “In Silico Lead Discovery and Lead Optimization Strategies Applied to PARP-1 and PPAR-g Receptors”, XIX National Meeting on Medicinal Chemistry, 14-18 September, 2008, Verona, Italy.
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PRESENTAZIONE - E. Fioravanzo, E. Benfenati, E. Boriani, M.D. Parenti, A. Roncaglioni, M. Stocchero, "Predizioni in silico: proprietà chimico-fisiche"; Workshop - I modelli predittivi per il REACH: Istruzioni per l'uso, Milano, Istituto Mario Negri, luglio 2008.
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LECTURE - Marco Parenti, Alberto Cerri, Patrizia Ferrari, Elena Fioravanzo, Grazia Gallo, Mauro Gobbini, Matteo Stocchero, "General and Independent Approaches for the Prediction of Na+,K+-ATPase Inhibition at the Digitalis Receptor"; MATH/CHEM/COMP 2008 Conference, Verbania, Italy, Giugno 2008.
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LECTURE - Matteo Stocchero, "ACD/Labs. Create a complete inter-department analytical sample management system" NIR Italia 2008 - 3° Simposio di Spettroscopia NIR Lazise (VR), 22-23 maggio 2008


LECTURE - Lorenza Broccardo, "Umetrics. Software for chemometric applications; the OPLS algorithm" NIR Italia 2008 - 3° Simposio di Spettroscopia NIR Lazise (VR), 22-23 maggio 2008

ARTICOLO - R. Consonni, L.R. Cagliani, F. Benevelli, M. Spraul, E. Humpfer, and M. Stocchero, NMR and Chemometric methods: A powerful combination for characterization of Balsamic and Traditional Balsamic Vinegar of Modena, Analytica Chimica Acta 611 (2008) 31–40
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ARTICOLO - Intervista ad Angelini: "Chemoinformatica: una strategia vincente nel drug design", La Chimica e l'Industria, marzo 2008
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2007

ARTICOLO - C. Maugeri, M. A. Alisi, C. Apicella, L. Cellai, P. Dragone, E. Fioravanzo, S. Florio, G. Furlotti, G. Mangano, R. Ombrato, R. Luisi, R. Pompei, V. Rincicotti, V. Russo, M. Vitiello and N. Cazzolla, New anti-viral drugs for the treatment of the common cold, Bioorganic & Medicinal Chemistry, Volume 16, Issue 6, 15 March 2008, Pages 3091-3107
Link all'articolo

ARTICOLO - A. Bortolato, E. Fioravanzo, M. Mabilia e S. Moro, Efficace tecnica per progettare molecole, NCF, ottobre 2007, 136
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LECTURE - M.D. Parenti, A. Ciacci, S. Vincenti, E. Fioravanzo, G. Gallo, G. Giannini, M. Mabilia, Homology Modeling and Binding Affinity Studies on HDAC 2 and 6; XVIII Convegno Nazionale della Divisione di Chimica Farmaceutica della Società Chimica Italiana, Chieti, 16-20 Settembre 2007.
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LECTURE - E. Fioravanzo, M.A. Alisi, N. Cazzolla, M. Mabilia, G. Mangano, C. Maugeri, D. Mosca, R. Ombrato, M. Parenti and M. Vitiello, IN SILICO SCREENING IN LEAD DISCOVERY: PARP-1 AND PPARg RECEPTORS; 16th Camerino-Noordwijkerhout Symposium“An Overview of Receptor Chemistry”Camerino, September 9-13, 2007.
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POSTER - R. Ombrato, M.A. Alisi, N. Cazzolla, E. Fioravanzo, M. Mabilia, G. Mangano, C. Maugeri, D. Mosca, M. Parenti and M. Vitiello, IN SILICO SCREENING IN LEAD DISCOVERY APPLIED TO POLY(ADP-RIBOSE); 27 - 31 agosto 2007, St. Petersburg, Russia.
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POSTER - C.Maugeri, M.A.Alisi, I.Coletta, E.Fioravanzo, G.Mangano, R.Ombrato, V.Rincicotti, M.Vitiello and N.Cazzolla, ANALOGS OF MK-886 AS POTENTIAL ANTI-INFLAMMATORY DRUGS WITH A NOVEL MECHANISM OF ACTION; 27 - 31 Agosto 2007, St. Petersburg, Russia.
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2006

POSTER - E. Arnoldi, S. Dall'Acqua, M. Stocchero, G. Innocenti, Applicazione di tecniche chemiometriche a separazioni cromatografiche, VI Convegno Nazionale GICC, 18-21 dicembre 2006, Venezia.
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POSTER - R. Forlani, G. Dondio, E. Fioravanzo, M. Mabilia, Paola , P. Misiano and and V. Reali, In silico Classification Models of Membrane Permeabilità and P-glycoprotein Transport via hMDR1-MDCK cells, The 16th European Symposium on Quantitative Structure-Activity Relationships & Molecular Modelling, 10 - 17 September 2006, Mediterranean Sea / Ita.
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POSTER - E. Fioravanzo, A. Ciacci, N. Dell’Uomo, E. Tassoni, G. Gallo, F. Giannessi, M. Mabilia, M.D. Parenti and P. Carminati, CALCULATION OF THE BINDING AFFINITY OF HUMAN PPARã ACTIVATORS USING THE LINEAR INTERACTION APPROXIMATION, The 16th European Symposium on Quantitative Structure-Activity Relationships & Molecular Modelling, 10 - 17 September 2006, Mediterranean Sea / Italy.
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ARTICOLO - M.D. Parenti, E. Fioravanzo, M. Mabilia, G. Gallo, A. Ciacci, Induced fit and pharmacophore generation approach applied to A2A adenosine receptor antagonists, ARKIVOC Journal, Jun 8 2006, Part (viii), Special Issue Plenary and Invited Lectures of joint Italian-Swiss Medicinal Chemistry Meeting
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2005

LECTURE - Marco Parenti, Induced Fit and Pharmacophore generation approach applied to A2A Adenosine Receptor Antagonists; Second Joint Italian-Swiss Meeting on Medicinal Chemistry (ITCHMC2005) tenutosi a Modena, presso il forum Guido Monzani, dal 12 al 16 di Settembre 2005.
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POSTER - A. Ciacci, G. Gallo, M. Parenti, E. Fioravanzo, M. Mabilia, Methodological Approach To The Selection Of A Diversity-Enriched Library With Favorable Adme Properties And CNS Propensity; MGMS International Meeting 2005, “Biomolecular Simulation”, Trinity College, Dublin, Sept 11th-14th 2005.
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POSTER - Marco Daniele Parenti, Nicola Cazzolla, Lucia Durando, Elena Fioravanzo, Massimo Mabilia, Rosella Ombrato, Prediction Of Herg Affinity Values Using Independent Approaches; 8-9 giugno 2005, London, UK, In Silico Design of Bioactive Compounds: Absorption, Distribution, Metabolism, Excretion, and Toxicity.
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POSTER - Marco Daniele Parenti, Giulio Dondio, Elena Fioravanzo, Laura Fontanella, Roberto Forlani, Massimo Mabilia, Paola Misiano, General And Independent Approaches For The Prediction Of Cytochrome P450 2D6 Inhibition; 8-9 giugno 2005, London, UK, In Silico Design of Bioactive Compounds: Absorption, Distribution, Metabolism, Excretion, and Toxicity.
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ARTICOLO - E. Fioravanzo, N. Cazzolla, L. Durando, C. Ferrari, M. Mabilia, R. Ombrato, and M. D. Parenti, General and Independent Approaches to Predict HERG Affinity Values, Internet Electron. J. Mol. Des. 2005, 4, 625–646, http://www.biochempress.com
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LECTURE - Elena Fioravanzo, MVDA - Multivariate Data Analysis - applied to analysis and prediction of physico-chemical properties, Workshop Data, Algorithm & Results in QSAR DARQ2005
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ARTICOLO - Marco Parenti, Elena Fioravanzo, Ivan Rossi, Michele Finelli, Dalla sequenza alla struttura in pochi click, La Chimica & L’Industria, aprile 2005, editoriale
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ARTICOLO - Mirco Zanvettore, Maria Luisa Cracco, Lorenza Broccardo, Insieme si vince. Interventi antinquinamento e di monitoraggio delle acque reflue nelle valli del Chiampo e dell'Agno, La Chimica & L’Industria, maggio 2005, 72, DossierAmbiente
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2004

ARTICOLO - E. Fioravanzo, N. Cazzolla, L. Durando, C. Ferrari, M. Mabilia, R. Ombrato, Prediction Of HERG Affinity Values Using Independent Approaches; Proceedings of the Complexity in the Living: a problem-oriented approach, Roma, 28-30 settembre 2004.
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POSTER - Roberto Forlani, Giulio Dondio, Elena Fioravanzo, Massimo Mabilia, Sujen Moioli, Marco D. Parenti and Morena Spreafico, Preliminary Studies On Comparison And Experimental Validation Of Two Virtual Docking Procedures; Euro-QSAR 2004, Istanbul, Turkey - September 2004.
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POSTER - Andrea Ciacci, Natalina Dell’Uomo, Grazia Gallo, Anna Floriana Sciarroni, Paolo Carminati, Massimo Mabilia, Elena Fioravanzo, Marco Daniele Parenti, Induced Fit And Virtual Docking Applied To PPARá And PPARã Agonists; Euro-QSAR 2004, Istanbul, Turkey - September 2004.
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POSTER - Massimo Mabilia, Elena Fioravanzo, Marco Daniele Parenti, Fast Database Screening By Generation Of Virtual Pharmacological Profiles; Euro-QSAR 2004, Istanbul, Turkey - September 2004.
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POSTER - E. Fioravanzo, N. Cazzolla, L. Durando, C. Ferrari, M. Mabilia, R. Ombrato, Prediction Of HERG Affinity Values Using Independent Approaches; Complexity in the Living: a problem-oriented approach, Roma, 28-30 settembre 2004.
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LECTURE - E. Fioravanzo, Induced Fit and Virtual Docking applied to PPAR-alpha and PPAR-gamma agonists; XVII Convegno Nazionale Della Divisione Di Chimica Farmaceutica Della Societa’ Chimica Italiana, Pisa 6-10 settembre 2004.
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POSTER - Grazia Gallo, Maria Ornella Tinti, Paolo Carminati, Fabio Giannessi, Natalina Dell’Uomo, Ferdinando Maria Milazzo, Anna Floriana Sciarroni, Elena Fioravanzo and Andrea Ciacci, Virtual docking of phenylthio-2-(methyl)propanoic acid derivatives: insights into new selective PPARa agonists; XVIIIth International Symposium on Medicinal Chemistry, 15-19 August 2004, Copenhagen, Denmark & Malmö, Sweden.
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2001

ARTICOLO - E. Fioravanzo, F. Magnaguagno, M. Mabilia, Solubilità e lipofilia in funzione del pH, La Chimica e l'Industria, giugno 2001.
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LECTURE - Elena Fioravanzo, Massimo Mabilia, Filippo Magnaguagno, Giacomo De Mori, Alessandro Maiocchi, An investigation into the effects of conformational flexibility on EVA descriptors, First Magna Graecia Medicinal Chemistry Workshop on New Perspectives in Drug Research, June 10-13 2001, Copanello, Catanzaro, Italy.
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2000

L. Almonte, A. Arduini, G. Calvisi, R. Catini, P. Chiodi, F. De Angelis E. De Fusco, N. Dell'Uomo, F. Giannessi, F. Giorgi, I. Lustrati, M. Mabilia, M. Marzi, P. Minetti, S. Muck, P. Pessotto, E. Tassoni, M.O. Tinti, "Reversible Carnitine Palmitolyltrasferase Inhibitors with Antidiabetic Activity. 1. Broad Chemical Diversity", XVIth International Symposium on Medicinal Chemistry, Bologna, Italy, September 18 - 22, 2000.

G. Gallo, F. Giorgi, M. Mabilia, S. Dallavalle, F. Zunino, "Topoisomerase I Inhibitors: Simulation of Ternary Complex Interactions and QSAR Studies of Captothecin Derivatives", 13th European Symposium on QSAR : Rational Approaches to Drug Design, Düsseldorf, Germany, 27 August - 1 September, 2000.

E. Fioravanzo, M. Mabilia, G. De Mori, A. Maiocchi, "Multiple Conformers EVA Descriptors Applied to Non-peptide Angiotensin II Receptor Antagonists", 13th European Symposium on QSAR : Rational Approaches to Drug Design, Düsseldorf, Germany, 27 August - 1 September, 2000.
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G. Gallo, F. Giorgi, M. Mabilia, S. Dallavalle, F. Zunino, "Topoisomerase I Inhibitors: Simulation of Ternary Complex Interactions and QSAR Studies of Captothecin Derivatives", 13th European Symposium on QSAR : Rational Approaches to Drug Design, Düsseldorf, Germany, 27 August - 1 September, 2000.

E. Fioravanzo, S. Guccione, H. Chen, M. C. Calogero, M. Mabilia, "A PARM Study of Non-peptide Angiotensin II Receptor Antagonists from SEA Alignment", 13th European Symposium on QSAR : Rational Approaches to Drug Design, Düsseldorf, Germany, 27 August - 1 September, 2000.

C. Marani Toro, M. Mabilia, E. Fioravanzo, C. Landolfi, F. Mancini, M. Tomaselli, M. Giannangeli, "Docking Studies and 3D QSAR on Cyclooxygenase-2 Inhibitors", 3th European Symposium on QSAR : Rational Approaches to Drug Design, Düsseldorf, Germany, 27 August - 1 September, 2000.

1999

M. Giannangeli, N. Cazzolla, M. R. Luparini, M. Magnani, M. Mabilia, G. Picconi, M. Tomaselli, L. Baiocchi, "Effect of Modifications of the Alkylpiperazine Moiety of Trazodone on 5HT2a and a 1 Receptor Binding Affinity", J. Med. Chem, 42, 336-345, 1999.

F. Mancini, C. Marani Toro, M. Mabilia, M. Giannangeli, M. Pinza, C. Milanese, " Inhibition of TNF-a / TNF-a Receptor Binding by Strucural Analogues of Suramin", Biochem. Pharm., 58, 1999.

1998

S. De Munari, P. Barassi, A. Cerri, G. Fedrizzi, M. Gobbini, M. Mabilia, P. Melloni, "A New Approach to the Design of Novel Inhibitors of Na+,K+-ATPase : 17a-Substituted Seco-D 5b-Androstane as Cassaine Analogs", J. Med. Chem, 41, 3033-3040, 1998

A.W. Tai, M. Mabilia, E.J. Lien, "Application of MSA in QSAR of N-hydroxyguanidines as Anticancer and Antiviral Agents", Acta Pharmac. Sinica in China, published

C. Marani Toro, M. Mabilia, F. Mancini, M. Giannangeli, C. Milanese, "Modeling of Suramin-TNFa Interactions", 12th European Symposium on QSAR : Molecular Modeling and Prediction of Bioactivity, Copenhagen, Denmark, August 1998.

G. De Cillis, E. Fioravanzo, M. Mabilia, J. Cox, N. Farrell, "A Molecular Modeling Study of DNA Adducts of BBR3464, A New Phase I Clinical Agent", 12th European Symposium on QSAR : Molecular Modeling and Prediction of Bioactivity, Copenhagen, Denmark, August 1998.

M.G. Cima, G. Gallo, M. Mabilia, M.O. Tinti, M. Castorina, C. Pisano, E. Tassoni, "3D-SAR studies on a series of sulfonate dyes as protection agents against b-amyloid induced in vitro neurotoxicity", 12th European Symposium on QSAR : Molecular Modeling and Prediction of Bioactivity, Copenhagen, Denmark, August 1998.

G. Gallo, M. Mabilia, M. Santaniello, M.O Tinti, P. Chiodi, "QSAR of a series of Carnitine Acetyl Transferase (CAT) substrates", 12th European Symposium on QSAR : Molecular Modeling and Prediction of Bioactivity, Copenhagen, Denmark, August 1998.

1996

C. Gennari, B. Salom, D. Potenza, C. Longari, E. Fioravanzo, O. Carugo, N. Sardone, "Conformational Studies of Chiral Vinylogous Sulfonamidopeptidest", Chem. Eur. J., 1996, 2, No. 6, 644-655

G. Bravi, L. Belvisi, C. Scolastico, M. Mabilia, "A 3D-QSAR Study of Nonpeptide Angiotensin II Receptor Antagonists", J. CAMD, 1996, 10, 567-582

L. Quadri, A. Cerri, P. Ferrari, E. Folpini, M. Mabilia, P. Melloni, "Synthesis and QSAR of 17b-(Hydrazonomethyl)-5b-androstane-3b,14b-diol Derivatives that bind to Na+,K+-ATPase Receptor", J. Med. Chem., 39, 3385-3393, 1996

F. Giorgi, G. Gallo, M. Mabilia, M.O. Tinti, M. Calvani, "Structure-Activity Relationship of Carnitine Acetyl Transferase Agents", 11th European Symposium on QSAR : Computer-Assisted Lead Finding and Optimization, Lausanne, Switzerland, September 1996

1995

M. Mabilia, "A case study", First European Workshop in Drug Design, Cortona, Italy, May 1995.

E. Fioravanzo, M. Mabilia, "Non-peptide Angiotensin II Receptor Antagonists: PCA & PLS analyses employing different types of 3D molecular descriptors", Design of Bioactive Compounds, Potsdam, Germany, September 1995.

1994

C. Gennari, E. Fioravanzo, A. Bernardi, A. Vulpetti, "Origins of stereoselectivity in the addition of allyl- and crotylboronates to aldehydes : the development and application of a force field model of the transition states", Tetrahedron, 50, 1994, 8815-8826.

G. Capranico, M. Palumbo, S. Tinelli, M. Mabilia, A. Pozzan, F. Zunino, "Conformational Drug Determinants of the Sequence Specificity of Drug-stimulated Topoisomerase II DNA Cleavage", J. Mol. Biol., 235, 1218-1230, 1994.

M.Palumbo M.Mabilia A.Pozzan G.Capranico S.Tinelli F.Zanino, "Conformational Properties of Topoisomerase II Inhibitors and Sequence Specificity of DNA Cleavage", J. Molec. Recogn., 7, 227-231, 1994.

L. Belvisi, G. Bravi, G. Catalano, M. Mabilia, S. Scolastico, "Non Peptide Angiotensin II Receptor Antagonists: A 3D-QSAR CoMFA-like Approach", 1st European Conference on Computational Chemistry, State of the Art, Nancy, France, May 1994.

A. Pozzan, M. Mabilia, F. Dall'Acqua, P. Rodighiero, A. Guiotto, "Photoreactivity of Coumarin Analogues: A Molecular Mechanics and Quantum Mechanics Investigation", XIII International Symposium on Medicinal Chemistry, Paris, France, September 1994.

L. Belvisi, G. Bravi, G. Catalano, M. Mabilia, S. Scolastico, "A PCA/PLS Analysis of Non Peptide Angiotensin II Receptor Antagonists", 10th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, Barcelona, Spain, September 1994.

A. Bernardi, E. Fioravanzo, C. Gennari, A. Vulpetti, "Origins of stereoselectivity in the addition of allyl- and crotylboronates to aldehydes : the development and application of a force field model of the transition states", First European Conference of Computational Chemistry, Nancy, 23 - 27 May 1994.

A. Maiocchi, L. Calabi, M. Mabilia, "Evaluation of AM1 and PM3 methods in the study of isomerism and comformational properties of x-ray contrast agents", 10th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, Barcelona, Spain, September 1994.

1993

F. Dall'Acqua, Vedaldi, M. Mabilia, "Azapsoralens-DNA Interactions: Crystal Structure Characterization of Furan-Side Monoadduct and Computer-Aided Studies", Il Farmaco, 48, 1475-1490, 1993.

M. Mabilia, "A novel view of molecular modeling systems", Advanced Methodologies for Industrial and Academic Research Chemists, Certosa di Pontignano, Italy, January 1993.

M. Palumbo, M. Mabilia, F. Zunino, G. Capranico, "Potential Anticancer Agents Exhibiting Specific Binding to DNA", First International Cirbiom Symposium on Control of Gene Expression and Cancer Chemiotherapy, Nice, France, February 1993.

M. Palumbo, G. Capranico, S. Tinelli, M. Mabilia, A. Pozzan, F. Zunino, "Conformational properties fo Topoisomerase II inhibitors and sequence specificity of DNA cleavage", International Conference on DNA Recognition, Snekkersten, Denmark, August 1993.

G. Capranico, M. Palumbo, S. Tinelli, M. Mabilia, A. Pozzan, F. Zunino, "Relazione tra conformazione dei farmaci e specificitá di sequenza delle rotture del DNA mediate dalla Topoisomerasi II", X Riunione Nazionale di Oncologia Sperimentale, Bari, Italy, October 1993.

1992

G. Bertolini, V. Vecchietti, M. Mabilia, et al., "Dopamine receptor agonists, I. Synthesis and pharmacological evaluation of 4-aryl-substituted analogues of 6,7-dihydroxy-2-amino tetralin and related indane compounds", Eur. J. Med. Chem., 27, 663-672, 1992.

M. Mabilia, "Chimica Computazionale e Grafica Molecolare nella Ricerca Chimica: Programmi e Calcolatori", La Chimica e L'Industria, 11 , 801-811, 1992.

M. Mabilia, "3-D QSAR", Scuola Europea di Chemiometria, Siena, Italy, April 1992.

M. Mabilia, "Review of Software and Hardware for Molecular Modeling", Workshop on Modeling and Chemometrics in Medicinal Chemistry, San Cassiano, Italy, June 1992.

A. Pozzan, M. Palumbo, F. Dall'Acqua, M. Mabilia, "Photoreactivity of Coumarin Derivatives: Pattern Recognition and QSAR Studies", 9th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, Strasbourg, France, September 1992.

A. Pozzan, M. Palumbo, F. Dall'Acqua, M. Mabilia, "Photoreactivity of Psoralen Derivatives: A Molecular Mechanics and Quantum Mechanics Investigation", XII International Symposium on Medicinal Chemistry, Basel, Switzerland, September 1992.

1990

M. Mabilia, "Computer-Aided Molecular Design", Notiziario Chimico Farmaceutico, 7/8, 52-56, 1990.

M. Mabilia, "CAMD: Realtá e Prospettive", Conferenza AFI su "Il Farmaco degli Anni ' 90", Salsomaggiore Terme, Italy, May 1990.

A.W. Tai, M. Mabilia, E.J. Lien, "Design of N-hydroxyguanidines as anticancer and antiviral agents", Third SCBA International Symposium and Workshop in the Chinese University of Hong Kong, Hong Kong, June 1990.

A.W. Tai, M. Mabilia, E.J. Lien, "Targeted Ribonucleotide Reductase Inhibitors - Design, Syntheses and QSAR's", 17th International Symposium on Controlled Release of Bioactive Materials, Reno, Nevada, July 1990.

A. Feriani, G. Gaviraghi, M. Mabilia, "Structure-Activity Studies on Lacidipine", VIII European Symposium on Quantitative Structure-Activity Relationships, Sorrento, Italy, September 1990.

1989

M. Mabilia, S. Kuen Yeap-Morpeth, "Building Proteins by Homology", IXth ICCCRE, Riva del Garda, Italy, June 1989.

M. Mabilia, "Automated Drug Design", Symposium on Molecular Modelling Techniques, University of Technology, Graz, Austria, January 1989.

M. Mabilia, "MITIE Transputer-Based Systems for Parallel Processing in Drug Design", Symposium on the Use of Molecular Modelling Techniques, University of Technology, Graz, Austria, January 1989.

M. Mabilia, "Grafica Computerizzata e Progettazione di Farmaci", University of Padua, Italy, May 1989.

1987

M. Mabilia, R.A. Pearlstein, M.B. Koehler, A.J. Hopfinger, "Computer-Aided Molecular Modelling of Polymers: III. Enthalpy of Polymerization as a Measure of Stability", J. Macromol. Sci., Phys. B26, 493, 1987.

R.A. Pearlstein, M. Mabilia, et al., "Three dimensional structure modelling and quantitative molecular design using CHEMLAB-II", Proceedings of the Second Cyprus Conference on New Methods in Drug Design, A. Makriyannis, Ed., J. Prous, Barcelona, 1987.

A.J. Hopfinger, R.A. Pearlstein, M. Mabilia, S.K. Tripathy, "Estimation of thermodynamic and spatial properties of organic compounds for quantitative molecular design", Proceedings from World Organization for Theoretical Organic Chemist Congress, Budapest, Hungary, I.G. Cszimodia & G. Naray-Szabo, Eds., Blackwell

M. Mabilia, R.A. Pearlstein, A.J. Hopfinger, "Molecular Modelling of Zeolite Structure: I. Structural Properties of the Sodalite Cage", J. Am. Chem. Soc., 109, 7960, 1987.

R.A. Pearlstein, M. Mabilia, "The MicroChem Reference Guide", Intersoft, Inc., Lake Forest, Illinois, June, 1987.

M. Mabilia, R.A. Pearlstein, A.J. Hopfinger, "Molecular Modelling of Zeolite Structures", Symposium on Supercomputer Research in Chemistry and Chemical Engineering, University of Minnesota, Minneapolis, March 1987.

M. Mabilia, R.A. Pearlstein, A.J. Hopfinger, "Molecular Modelling of the Sodalite Cage", Amoco/University Poster Session, Amoco Research Center, Naperville, Illinois, October 1987.

1986

J.P. Snyder, M. Mabilia, V.M. Kolbe, "A Unified One-Site µ-Opiate Receptor Model for Morphine Analogs", Proceedings from the 8th International Symposium on Medicinal Chemistry, R. Dahlbom and J.L.G. Nilsson, Eds., Swedish Pharmaceutical Press, 1986.

W. Remers, M. Mabilia, A.J. Hopfinger, "Conformations of Pyrrolo[1,4]benzodiazepines and DNA segments", J. Med. Chem., 29, 2492, 1986.

M. Mabilia, R.A. Pearlstein, A.J. Hopfinger, "Computer Graphics in Molecular Shape Analysis in Molecular Graphics and Drug Design" , A.S.V. Burgen, G.C.K.Roberts & M.S. Tute, Eds., Elsevier Science Publishers - Biomedical Division, Cambridge, 1986.

1985

M. Mabilia, R.A. Pearlstein, A.J. Hopfinger, "Molecular Shape Analysis and Energetics-based Intermolecular Modelling of Benzylpyrimidine Dihydrofolate Reductase Inhibitors", Eur. J. Med. Chem., 20, 163, 1985.

M. Mabilia, R.A. Pearlstein, A.J. Hopfinger, "A QSAR Analysis of the Binding of Benzylpyrimidines to Dihydrofolate Reductase Using Molecular Shape Analysis" in "QSAR and Strategies in the Design of Bioactive Compounds", Proceedings of the 5th European Synposium on Quantitative Structure-Activity Rel

S.E. Radak, R.A. Pearlstein, M. Mabilia, D.E. Walters, "Computational Chemistry Applications to Organic Synthesis", University of Iowa, Division of Medicinal Chemistry, Natural Products, March 1985.

S.E. Radak, R.A. Pearlstein, M. Mabilia, D.E. Walters, "Molecular Graphics and Computational Chemistry in Organic Synthesis", American Chemical Society, Milwaukee Section, Wisconsin, March 1985.

S.E. Radak, R.A. Pearlstein, M. Mabilia, D.E. Walters, "Computational Applications to Organic Chemistry", Department of Chemistry, University of Wyoming, Laramie, April 1985.

1984

R.A. Pearlstein, M. Mabilia, S.E. Radak, A.J. Hopfinger, Three-dimensional Molecular Modelling in Molecular Design, Proceedings of the First European Seminar on Computer-Aided Molecular Design, London, England, October, 1984

A.J. Hopfinger, M. Mabilia, R.A. Pearlstein, "Intra- and Inter-molecular Modelling of the Inhibition of Dihydrofolate Reductases by Benzylpyrimidines", Symposium on Molecular Modelling and Drug Design, 18th Middle Atlantic Regional Meeting, May 1984.

D.E. Walters, M. Mabilia, "Molecular Mechanics Modelling of Sterically Controlled Reactions of Steroids", 25th Annual Medicinal Chemistry Symposium, S.U.N.Y. at Buffalo, June 1984.

R.A. Pearlstein, M. Mabilia, A.J. Hopfinger, "A QSAR Analysis of the Binding of Benzylpyrimidines to Dihydrofolate Reductases Using Molecular Shape Analysis", 5th European Symposium on QSAR, London, September 1984.

D.E. Walters, M. Mabilia, S.E. Radak, R.A. Pearlstein, A.J. Hopfinger, "Applications of Three-dimensional Drug Design", 2nd International Congress on Computers in Science, October 1984.

A. Cerri, E. Folpini, L. Quadri, M. Mabilia, P. Melloni, "Digitalis-like Steroids: QSAR of 17b-Hydrazonomethyl Derivatives", XIII International Symposium on Medicinal Chemistry, Paris, France, September 1984.

1983

P.V. Pallai, M. Mabilia, M. Goodman, W. Vale, J. Rivier, Structural Homology of Corticotropin-releasing Factor, Sauvagine, and Urotensin I: Circular Dichroism and Prediction Studies, Proc. Natl. Acad. Sci. USA, 80, 6770 , 1983.