Book of Abstracts
Invited Speakers

Francesca Mocci
University of Cagliari, Italy
“Multiscale Molecular Modeling of DNA: Toward Simulating Its Naturally
Confined Environment”

Sergiy Perepelytsya
Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine
“Counterions confined in DNA nanomaterials: Insights
form modeling and simulation”

Sonja Grubisic
University of Belgrade
Biomolecular Force Fields: Recent Advances in Nonstandard Amino Acid and Nucleic Acid Development

Aatto Laaksonen
Stockholm University
“Modeling polymers constrained by Nature”

Dmytro Piatnytskyi
Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine
“Quantum chemical calculations basics”

Valeriya Trusova
V.N. Karazin National University, Kharkiv, Ukraine
“From molecular simulations to functional design:
computational insights into theranostic protein-based nanostructures”

Tetian Bubon
Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine,
University of Trieste, Italy
“Modeling of the Structure and Dynamics of the DNA Hydration Shell”

Ali Hassanali
The Abdus Salam International Center for Theoretical Physics, Trieste, Italy

Piotr Żuchowski
Nicolaus Copernicus University, Poland
“Molecular interactions with quantum chemistry methods”

Andrij Baumketner
Institute of Condensed Matter Physics of the NAS of Ukraine, Lviv, Ukraine
“What can we learn about quantum dots from computer simulations?”

Carlo Maria Carbonaro
Physics Department in University of Cagliari, Italy
“Experimental and computational characterization of carbon dots”

Anna Shestopalova
O.Ya. Usikov Institute of Radiophysics and Electronics of the NAS of Ukraine, Kharkiv, Ukraine
“Drug Design and Repurposing: An Overview with
Selected Examples”



