MATH/CHEM/COMP 2001 Dubrovnik International Course & Conference
(MCC 2001

Ante Graovac

Biserka Pokrić

Dražen Vikić-Topić

English

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FOREWORDThe MATH/CHEM/COMP 2001 Dubrovnik International Course & Con-ference (MCC 2001) on the Interfaces between Mathematics, Chemistry andComputer Sciences was held from June 25-30, 2001, in Dubrovnik, Croatia,under the joint auspicies of the Inter-University Centre, Dubrovnik, Ru|erBo{kovi} Institute, Zagreb, Universities of Zagreb and Split, InternationalSociety for Mathematical Chemistry, and International Society for Theoreti-cal Chemical Physics. MCC 2001 was the sixteenth in the series of annualmeetings that we started in 1986, and it attracted 120 participants from 15countries, a large number of them being students and young researchers.We are especially glad and proud that two leading figures of the chemicalgraph theory, Prof. Frank Harary and Prof. Alexandru T. Balaban, partici-pated in MCC 2001, and we dedicated the meeting to them in happy cele-bration of their birthdays. Their achievements and CVs are displayed at:http://www.cs.nmsu.edu/~fnh/ and http://www.tamug.tamu.edu/mars/faculty//balaban.htm.The MCC meetings are traditionally oriented to discussion about the in-terplay among mathematics, chemistry and computer sciences, and this con-tinues. However, to keep pace with »hot« subjects and practical needs, weincorporate into our meetings special sessions, which vary from year to year.Four such sessions were offered at MCC 2001: Session on Advanced Mate-rials (organized by Zorica Crnjak Orel, Ante Graovac and Aleksandra Tur-kovi}), Session on Bioinformatics (organized by Davor Jureti}, Gábor Náray-Szábo and Andrej Sali), Session on Proteomic Modelling of Bioactive Mole-cules (organized by Nikola [tambuk), and Session on Drug Design (organizedby Darko Butina, Vesna Gabelica and Tom [olmajer). The fifth one, the Ses-sion on Philosophy of Chemistry (organized by Edward C. Kirby and HrvojVan~ik) was a return to the fundamentals whence our research originated.From the very beginning, due care has been given to publishing the re-sults presented in Dubrovnik. As a result, twenty MCC Proceedings havebeen printed up to now in various distinguished scientific journals. The re-sults presented at MCC 2001 are published in this special and refereed is-sue of Croatica Chemica Acta, and the same number of papers have beenprinted in the first four issues of Vol. 42 (2002) of Journal of Chemical Infor-mation and Computer Sciences. The contributions presented at the MCC 2001Session on Philosophy of Chemistry appeared in the September 2002 issueof Kemija u industriji (Zagreb).CROATICA CHEMICA ACTA 75 (4) (2002) VIIMATH/CHEM/COMP meetings are of an interdisciplinary character andare not just a sum of the MATH(ematics), CHEM(istry) and COMP(uter)Sciences but are trying to establish a synergy of these and related disciplines,which are of importance to modern chemists and related researchers.The present issue contains four papers on discrete mathematics in chem-istry, two on bioinformatics, four on modelling in chemistry and medicine,and two on quantum chemistry.The organization of MCC 2001 was possible in the first place due to thehelp of the Inter-University Centre in Dubrovnik, Ru|er Bo{kovi} Institutein Zagreb (on the occasion of its 50th anniversary), University of Zagreb andUniversity of Split. The financial support from the Ministry of Science andTechnology of the Republic of Croatia, PLIVA d.d. (Zagreb), Camitro (Cam-bridge, UK), and Hrvatski Telekom (HT) is gratefully acknowledged. Specialthanks for partial financial support go to the Deutscher Akademischer Aust-auschdienst (DAAD), Krka d.d. (Novo Mesto), Office of the President of theUniversity of Split, SMS (Split), Profil (Zagreb), Sava (Kranj), and CroatiaAirlines. Many thanks are also due to the Editor-in-Chief Professor NenadTrinajsti}, Mrs. Nada Trajkov and Mr. Miro Baji} for their patience and un-derstanding as well as to the contributors and referees for their assistance.We dedicate this issue to Professor Frank Harary and Professor AlexandruT. Balaban wishing them all the best in the coming years.Ante Graovac (Zagreb & Split)Biserka Pokri} (Zagreb)Dra`en Viki}-Topi} (Zagreb)VIII CROATICA CHEMICA ACTA 75 (4) (2002)

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