Preliminary program of the 7th Visegrad Symposium on Structural System Biology
June 21, 2017
15:00-17:00 Registration

17:00-17:30  Conference opening

17:30-19:00  Opening Session

Chair: Giorgia Brancolini
17:30-18:00  Victor Guallar PELE Studio: the next generation interactive and smart molecular design software
18:00-18:30  Vojtěch Spiwok Flying Gaussian Method
18:30-19:00  Sergio Marques Computational Tools to Aid Protein Design and Modelling

19:30- Poster session, welcome party, buffet dinner,

June 22, 2017
9:00-10.30 1st Morning Session

Chair: Rüdiger Ettrich
9:00-9:30  Kallidaikurichi Venkatachalam Substrate Promiscuity of Methionine Gamma Lyase Deaminase from Porphyromonas gingivalis: Characterization by UV-VIS Spectroscopy
9:30-10:00  Magdalena Kowacz Infrared spectroscopy study on the effect of light on protein structure and interactions. Possible role of nanobubbles.
10:00-10:30  Nacer Idrissi Local Structure of Dilute Aqueous DMSO Solutions, as Seen from Molecular Dynamics Simulations

10:30-11:00 Coffee break

11:00-12:30 2nd Morning Session

Chair: Christian Schröder
11:00-11:30  Giorgia Brancolini Exploring Protein-Nanoparticle Interactions by Modelling and Simulations
11:30-12:00  Christopher Reynolds Addressing biased signalling in class B G protein-coupled receptors
12:00-12:30  Pavel Izák Purification of mixture of gasses with supported liquid membranes

12:30-14:00 Lunch

14:00-15:20 Afternoon session

Chair: Jan Urban
14:00-14:30  Pal Jedlovszky Lateral pressure profile and free volume properties in phospholipid membranes containing anesthetics
14:30-15:00  Mario Vazdar Model Biological Membranes During Oxidative Stress
15:00-15:20  Milan Melicherčík Computational study of AMP-membrane interactions

15:30-21:00 Trip to Třeboň (excursion to brewery) including dinner in brewery restaurant.

21:00- Free time, beer, …

June 23, 2017
9:00-10.30 1st Morning session

Chair: Jannette Carey
9:00-9:30  Christian Schröder Computational Solvation Dynamics Spectroscopy
9:30-9:50  James Valdes “Water, water, everywhere…” for an antiviral resistance
9:50-10:10  Vasilina Zayats Role of slipknot topology in Alkaline phosphatase-like superfamily
10:10-10:30  Oliver Brylski Effects of the cellular environment on PAPS-Synthase stability

10:30-11:00 Coffee break

11:00-12:30 2nd Morning Session

Chair: Magdalena Kowacz
11:00-11:30  Jannette Carey Allostery: Monod’s Second Secret
11:30-12:00  Roman Tuma Allosteric mechanism of protein translocation though the bacterial SecYEG-SecA translocon
12:00-12:30  Andrew Jackson Structural Studies of Biomolecules in Deep Eutectic Solvents

12:30-14:00 Lunch

14:00-15:40 1st Afternoon session

Chair: Béla Viskolcz
14:00-14:20  Béla Fiser Theoretical Investigations of Glutathione and Glutathione Analogues
14:20-14:40  Franco A. Cimino Prado Formation Mechanism of the Simplest Carbohydrate in Interstellar Medium
14:40-15:00  Andrea Guljas Theoretical Analysis of TRPV1 Ligands: Preliminary Results
15:00-15:20  Filip Šebesta Reduction of Pt(IV) complexes by small biomolecules
15:20-15:40  Denys Biriukov Adsorption of oxalic acid on rutile surface

15:40-16:10 Cofee break

16:10-17:50 2nd Afternoon session

Chair: Victor Guallar
16:10-16:30  Vladimír Sychrovský The Excision of OxoG Base with hOGG1 BER Enzyme; Towards Validation of the Catalytic Pathway
16:30-16:50  Jakub Šebera The mechanism of the glycosylase reaction with hOGG1: concerted effect of Lys249 and Asp268 during excision of oxoG
16:50-17:10  Robert Welch FFEA: Continuum Simulations for Obnoxiously Large Biological Systems
17:10-17:30  John J. Villar Computational Modeling and Analysis of Backbone-Sidechain Interactions in Selected Amino Acid Diamide 5D Conformational Potential Energy Surface
17:30-17:50  Imre Jákli Quantum chemical study of hexopyranose configuration induced conformer distributions

17:50-18:00 Closing remarks

18:30- Conference dinner, farewell party

June 24, 2017
Morning: Departure

This schedule is preliminary and it is subject to change.