Sunday, September 22nd
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09:00 – 10:00
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Participant registration, Conference Hall, Hotel Princess Royal
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10:00 – 12:00 &
16:00 – 18:00
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Course 1, Lecture Room “Neptun”, Hotel Neptun
QSAR analysis - principles, methods and applications, Stefan Dove, University of Regensburg, Germany |
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10:00 – 12:00 &
16:00 – 18:00
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Course 3, Lecture Room “Lokrum”, Hotel Neptun
ABC of Modelling Transporter Data - Principles and Practical Know How, Sibylle Neuhoff, Simcyp Ltd, UK |
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15:00 – 19.30
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Participant registration, Conference Hall, Hotel Princess Royal
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20:00 -
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Welcome party, Taraca Lounge bar
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Monday, September 23rd (Royal Banquet Hall, Hotel Princess Royal)
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08:00
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Poster mounting, Princess Room 1, In front of the Royal Banquet Hall
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09:00
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Opening Ceremony
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Chairs: Biserka Cetina Čižmek and John Comer
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09:15
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Alan Hill, GSK, UK, Physico-chemical profiling for Successful Lead Optimisation: Minimising the Risk of Attrition
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09:55
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Paul J. Russell, Unilever, UK, The role of physicochemical properties in pathways based toxicology risk assessment
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10:30
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Vesna Gabelica Marković, Fidelta Ltd, Croatia, Integrated physico chemical methods for effective drug candidate selection
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10:45
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Coffee break
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11:00
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Kin Tam, Gergely Völgyi, Gábor Vizserálek, Krisztina Takács-Novák, Alex Avdeef, University of Macau, China, Uses of physicochemical properties to estimate the pharmacokinetics and pharmacodynamics of antibacterial fluoroquinolones
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11:40
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Martí Rosés, Joan Marc Cabot, Elisabet Fuguet, Xavier Subirats, Universitat de Barcelona, Spain, High throughput determination log Po/w/pKa/log Do/w of drugs by combination of UHPLC and CE methods
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12:20
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Konstantin Tsinman, Oksana Tsinman, Alex Avdeef, in-ADME Research, USA, Applications of in situ Concentration Monitoring: Release from Nanoparticles, Supersaturation, Dual Component Separation and more …
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13:00
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Lunch
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Chairs: Alex Avdeef and Kin Tam
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15:00
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John Comer, Sirius Analytical Ltd., UK, The importance of pKa values in pharmaceutical science
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15:40
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Robert Fraczkiewicz, Robert D. Clark, Alexander Hillisch, Andreas H. Göller, Ursula Krenz, Rolf Schoenneis, Mario Lobell, Simulations Plus, USA & Bayer, Germany, The absolute importance of applicability domain in QSAR: A new in silico multiprotic pKa prediction tool with significantly improved prediction accuracy and new functionality for PhysChem, MedChem, CompChem, and Cheminformatics applications
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16:20
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Igor V. Tetko,Sergey Novotarskyi, Iurii Sushko, Robert Körner, Ahmed Abdelaziz, Helmholtz Zentrum München - German Research Center for Environmental Health, Germany, On-line Chemical Modelling Environment – database and models for physico-chemical properties
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17:00
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Coffee break
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17:20
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Stefan Dove, Universtiy of Regensburg, Germany, Multivariate analysis of hydrophobic parameters
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17:50
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Christos Reppas, National and Kapodistrian Collaborators of Athens, Greece, Biorelevant in vitro performance testing of orally administered drug products: What and Why
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18:20
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Seval Korkmaz, Abdi Ibrahim, Turkey, Usage of Caco-2 Permeability Studies for Biowaiving and Bioequivalence Applications of Immediate Released Generic Drug Formulations
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18:50
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Rameshwar K. Deshmukh, Jitendra B. Naik, University Institute of Chemical Technolgy, India, Aceclofenac microspheres: Optimization of formulation using IV-Optimal statistical Design
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19:20
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End of Monday's session
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Tuesday, September 24th (Royal Banquet Hall, Hotel Princess Royal)
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Chairs: Rolf Hilfiker and Mario Grassi
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09:00
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Alex Avdeef, in-ADME Research, USA, Salt Solubility Determination, Complicated by the Presence of Drug Aggregates, Drug-Buffer Precipitates, and Co-precipitated Solids
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09:40
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Jörg Berghausen, Novartis Institutes for Biomedical Research, Switzerland, Diagnosing solubility limitations – the example of hydrate formation
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10:15
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Z. Wojnarowska, K. Grzybowska, L. Hawelek, M. Dulski, M. Paluch, K.J. Paluch, L. Tajber, W. Sawicki, University of Silesia, Poland, Molecular Dynamics, Physical Stability and Solubility Advantage from Amorphous Indapamide Drug
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10:45
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Coffee break
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11:05
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Ulrich Griesser, Doris E. Braun, University of Innsbruck, Austria, High-throughput gravimetric moisture sorption in pharmaceutical preformulation
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11:45
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Jan Smith, Synthon BV, The Netherlands, DVS: Application within a generic pharmaceutical company
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12:20
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Simona Cîntă Pînzaru, C. A. Dehelean, A. Fălămas, M. Steiner, Babes-Bolyai University, Romania, Advanced Raman techniques in new drugs research and development
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13:00
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Lunch
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Chairs: Ulrich Griesser
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15:00
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Rolf Hilfiker, Solvias AG, Switzerland, Co-Crystals: A tool to fine-tune solid-state properties
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15:40
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M. Grassi, A Piccolo, M. Abrami, S. Fiorentino, R. Farra, G. Grassi, D. Hasa, D. Voinovich, B. Perissutti, I. Colombo, Trieste University, Italy, Determination of nanocrystals size distribution in polymer-drug systems
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16:20
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Coffee break
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16:40
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Elena Boldyreva, Novosibirsk State University, Russia, Mechanochemistry of drugs
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17:20
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Jindřich Hašek, Institute of Biotechnology, Czech Republic, X-ray diffraction methods in drug design
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17:55
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M. Paluch, K. Grzybowska, K. Kołodziejczyk, A. Grzybowski, Z. Wojnarowska, L. Hawelek, J. D. Zioło, University of Silesia, Poland, Relaxation dynamics and crystallization study of sildenafil in the liquid and glassy states
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18.30
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Poster session (until 23:00)
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Wednesday, September 25th (Royal Banquet Hall, Hotel Princess Royal)
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08:00
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Poster dismounting
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Chairs: Vesna Gabelica Marković and Predrag Novak
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09:00
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Sibylle Neuhoff, Simcyp (a Certara company), UK, In vitro - in vivo extrapolation of transporters
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09:40
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Michael Przybylski, University of Konstanz, Germany, Affinity- Mass Spectrometry and Ion Mobility- Mass Spectrometry: New Tools for elucidating structures, reaction pathways and interactions of “misfolding” - aggregating proteins
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10:20
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Tamás Sovány, Ildikó Oláh, Péter Kása jr., Klára Pintye-Hódi, University of Szeged, Hungary, Application of PAT methods in the development and quality control of Orally Disintegrating Tablets
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10:50
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Coffee break
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11:10
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Geoff Holdgte, AstraZeneca, UK, Fragment-Based Lead Generation in Drug Discovery
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11:50
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Dégardin Klara, Roggo Yves, Margot Pierre, F. Hoffmann-La Roche, Switzerland, Forensic Intelligence for Medicine Anti-Counterfeiting
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12:30
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Lunch
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14:00
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Excursion + Social Dinner
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Thursday, September 26th, Joint PCMDDD-3 & COST Action TD 1002 session (Lecture room Coral, Hotel Neptun)
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Chairs: Vesna Svetličić and Pierre Parot
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09:00
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Ratnesh Lal, Srinivasan Ramachandran, Fernando Teran Arce, Preston Landon, University of California San Diego, USA, AFM Nanoimaging and nanomechanics for nanomedicine,
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09:40
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Robert Henderson, University of Cambridge, UK, G-quadruplex DNA and DNA origami: Insights from atomic force microscopy
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10:20
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Coffee break
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10:35
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Jean-Luc Pellequer, Shu-wen W. Chen, Michael Odorico, Jean-Marie Teulon, Pierre Parot, Rui C. Chaves, CEA, France, Structural dynamics of single molecules using Atomic Force Microscopy
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11:15
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Seminar/Workshop
Michael Przybylski, Stefan Slamnoiu, Mihaela Stumbaum, Camelia Vlad, Kathrin Lindner, Christiaan Karreman, Marcel Leist, and Bastian Hengerer, University of Konstanz, Germany, Online Bioaffinity-Mass Spectrometry: New Tool for Simultaneous Detection, Structure Determination and Affinity Quantification of Protein-Ligand Interactions from Biological Material
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12:00
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Conference closing
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