PROGRAM OF THE MEETING


09:00 - 09:30  Opening addresses

 

          1st session (moderator: Valerije Vrček)


09:30 - 10:00  Zlatko Mihalić (PMF, Zagreb)

                            Computational chemistry today, or how to obtain accurate numbers with minimum effort (pdf)


10:00 - 10:30  Marina Šekutor (RBI)

                            Configuration and reactivity of diamondoids on a Cu(111) surface (pdf)


10:30 - 11:00  Antonija Tomić (RBI)

                            Development of new zinc ion parameters suitable for classical MD simulations of zinc

                            metallo-peptidases (pdf)


11:00 - 11:30  Coffee break


        2nd session (moderator: Mario Vazdar)


11:30 - 12:00  Larisa Zoranić (PMF, Split)

                            Conformational adaptivity of designed antimicrobial peptides


12:00 - 12:30  Hrvoje Rimac (FBF)

                            Formation of a ternary human serum albumin-indomethacine-quercetin complex and

                            energy transfer (pdf)


12:30 - 13:00  Vatroslav Letfus (Fidelta)

                            Rational design, synthesis and biological profiling of new JMJD2C inhibitors (pdf)


13:00 - 14:00  Lunch break


       3rd session (moderator: Danijela Barić)


14:00 - 14:30  Zlatko Brkljača (RBI)

                            Insights into translocation of charged species along membrane proteins using advanced

                            free energy calculations


14:30 - 15:00  Marin Sapunar (RBI)

                            Tracking excited electronic states in nuclear coordinate space (pdf)


15:00 - 15:30 Tana Tandarić (RBI)

                            Computational insight into the MAO B enzyme irreversible inhibition (pdf)


15:30 - 16:00 Karlo Sović (PMF, Zagreb)

                            Conformational analysis of fused ring systems using tensor decomposition methods (pdf)


16:00 - 16:05 Concluding remarks


16:05 - 18:00 Poster session


The Book of Abstracts is available here.