Research Line #3 of ICQEM

Research Line #3:

Investigation and Modeling of Properties and Reactions in Chemical and Biochemical Complex Systems

The main objective of this research line is to determine simple methods and models to elucidate, interpret and predict the interactions in complex systems, using methods of quantum chemistry, coupled with molecular mechanics and dynamics and with molecular graphics. The interactions considered are those taking place in vacuo, in solution or in enzyme/receptor fields.

1998 Short Report (in Italian) 1998 Short Report (in English)
1999 Short Report (in Italian) 1999 Short Report (in English)
2000 Short Report (in Italian) 2000 Short Report (in English)
2001 Short Report (in Italian) 2001 Short Report (in English)


ICQEM Researchers
Caterina Enrica Maria Ghio (Principal Investigator)            
Giuliano Alagona (Principal Investigator in 1996-1998)     
Susanna Monti

ICQEM Technical Assistants
Andrea Biagi
Paolo Palla

Doctoral students
Silvio Campanile (DCCI, University of Pisa)

Former Doctoral students
Simone Tomasi (Dept. of Chemistry, University of Calgary)
Guido Germano (presently Juniorprofessor of Physical Chemistry, Philipps-Universitat Marburg, Head of Computer Simulation Group; formerly at the Condensed Matter Theory Group-University of Bielefeld and Res. Assistant in Theoretical Physics in Bristol)

Claudio Pratesi (presently at EniChem, Milan)


Armida Di Fenza

RESULTS for: Menarini Fellowship

Former Fellows

Dafne Molin

External co-workers
Alessandro Agresti - University of Florence - Dept. of Physics
Peter A. Kollman - Dept. of Pharm. Chem. - University of California SF - CA
Peter I. Nagy - School of Pharmacy - University of Toledo - Ohio
Marco Clericuzio - SNS, Dept. of Organic Chemistry - University of Lund - Sweden; presently at the University of Torino, Dip. di Chimica Generale ed Organica Applicata
Andrzej Sokalski - Dept. of Chemistry - Tech. Univ. of Wroclaw - Poland
Vincenzo Villani - University of Basilicata - Dept. of Chemistry
Liliana Mammino - University of Venda - South Africa

Comments, remarks, suggestions, news, etc...



- Dept. of Pharmaceutical Chemistry, University of California, San Francisco, CA, USA
- College of Pharmacy, University of Toledo, Toledo, OH, USA
- Institute of Chemistry, Technical University of Wroclaw, Poland
- Dipartimento di Chimica e Chimica Industriale, University of Pisa, Italy
- Dept. of Medicinal Chemistry and Pharmacognosy, University of Illinois, Chicago, IL, USA
- Dept. of Chemistry and Biochemistry, University of Colorado at Boulder, CO, USA
- Dept. of Food Science, University of Naples, Portici (Naples), Italy
- Istituto di Chimica Farmaceutica, University of Pisa, Italy
- Centro Internazionale di Chimica Pura ed Applicata - Trieste, Italy
- Laboratori Guidotti S.p.A. Industria Chimica Farmaceutica - Pisa, Italy
- Menarini Ricerche S.p.A. - Firenze, Italy
- Dept. of Chemistry - University of Venda, South Africa


(including works carried out with other grants):

Electronic Abstracts