12^th Visegrad Symposium on Biomolecular Interactions

Conference program

Sunday, June, 23

13:00 - 16:00	Registration
16:00 - 16:10	Conference opening
Chairman: J. Urban
16:10 - 16:50	A. Weinzinger - Allosteric mechanisms of inward rectifier K+ channel gating
16:50 - 17:20	D. Berta - From model building to in silico ligand screening: targetting the SARS-CoV-2 helicase
17:20 - 17:50	B. Fiser - Additives in Action - How to Make 'Greener' Polymers?
17:50 - 18:20	N. Idrissi - Exploring the Interfacial Conformational Changes and Polymorphic Behavior of Curcumin
18:20 - 18:50	L. Forgách - Development, In Vitro Characterization & In Vivo Testing of multimodal Prussian Blue nanoparticles in an animal model
19:00 -	Dinner welcome party
20:30 -	Poster session I - even numbers

Monday, June, 24

Chairman: N. Idrissi
9:00 - 9:30	M. Paolantoni - Hydration properties of sugars: molecular structure and dynamics
9:30 - 10:00	Ch. Schröder - Computational spectroscopy of water
10:00 - 10:30	A. P. Seitsonen - Vibrational spectroscopies in liquid water: On temperature and coordination effects in Raman and infra-red spectroscopies
10:30 - 10:50	Coffee break
Chairman: Ch. Schröder
10:50 - 11:20	E. Heid - A systematic way of improving machine learning potentials through spatially resolved uncertainty
11:20 - 11:40	J. Matúška - Generalization improvement of the neural network constructed using SchNetPack 2.0
11:40 - 12:00	B. Dogan - Predicting Selectivity of Compounds Against HDAC Isoforms Quantitatively Using Deep Learning Approaches
12:00 - 12:20	M. Štekláč - Docking power approximations: can molecular docking reproduce experiment?

12:30 - 14:00	Lunch
Chairman: J. Burda
14:00 - 14:30	Z. Futera - Conductance of Solvated Biomolecular Junctions
14:30 - 15:00	D. Řeha - Mechanism of carbon dots synthesis from citric acid and ethylenediamine studied by QM calculations
15:00 - 15:20	F. Šebesta - Electron Transfer via Artificial Tryptophan Pathways
15:20 - 15:40	J. Fetse - Computational Scoring and Experimental Evaluation of Small Peptide Fragments Targeting PD-L1 for Cancer Immunotherapy
16:00 - 19:00	Sightseeing tour in Piešťany
19:00 -	Dinner
20:00 -	Poster session II - odd numbers

Tuesday, June, 25

Chairlady: J. Carey
9:00 - 9:30	Z. B. Rózsa - Effect of Phospholipid Headgroups on the Permeation of Additives
9:30 - 10:00	Z. Mucsi - A GFP inspired fluorescent molecular sensor for the detection of Zn2+ by two-photon microscopy in biology
10:00 - 10:30	M. Uddin - An Innovative Dual Action Antibiotic Adjuvant Strategy using Ionic Liquid towards Synergistic Restoration of Activity in MDRO and Enhancing Antimicrobial Activity against MRSA
10:30 - 10:50	Coffee break
Chairman: B. Viskolcz
10:50 - 11:15	D. Dojcsák - Diagnostic of Pediatric Appendicitis supported by altered serum N-glycome
11:15 - 11:40	M. Sappl - Langevin behavior of the dielectric decrement of amino acids in electrolyte solutions
11:40 - 12:05	T. Gerzsenyi - Studies on adsorption and antibacterial effect of magnetic nanoparticles
12:05 - 12:30	P. Koska - Bioremediation potential of heavy metal loaded waste water by C.vulgaris microalga
12:30 - 14:00	Lunch
Chairman: D. Řeha
14:00 - 14:30	B. Minofar - Interaction of biomolecules in confined environments
14:30 - 15:00	T. Kovács - Development of NMR scaling factors and reaction mechanism computations
15:00 - 15:30	J. Burda - Modeling interaction of metals with biomolecules
15:30 - 15:50	Coffee break
Chairman: B. Minofar
15:50 - 16:15	M. Říha - From QM to QM/MM: NHC gold(I) complexes as potential cancer therapeutics
16:15 - 16:40	I. Kĺbik - Impact of dimethylsulfoxide on ionic conductance in lipid bilayer-embedded ion channel: implications for cryopreservation
16:40 - 17:05	T. Horváth - Investigation of radioactive strontium decorporation by computational analysis of Calcium and strontium ion complexation
17:05 - 17:30	J. Carey - Allostery: Monod’s second secret of life
18:00 - 20:00	Conference dinner

Wednesday, June, 26

Departure