Name: First US–Macedonian Workshop on Modeling in Chemistry and Biochemistry
Start: 2025-10-14T09:00:00+02:00
End: 2025-10-15T15:00:00+02:00
Location: Institute of Chemistry, Faculty of Natural Sciences and Mathematics

First US–Macedonian Workshop on Modeling in Chemistry and Biochemistry

from Tuesday, October 14, 2025 (9:00 AM) to Wednesday, October 15, 2025 (3:00 PM)

Monday, October 13, 2025
Tuesday, October 14, 2025

9:00 AM Opening ceremony
Opening ceremony
9:00 AM - 9:30 AM
Room: Lacture room 124
9:30 AM Tentative title: Four pillars of mathematical chemistry & QSAR in the service of the seven pillars of life: A novel perspective. - Subhash Basak (University of Minnesota Duluth, USA)
Tentative title: Four pillars of mathematical chemistry & QSAR in the service of the seven pillars of life: A novel perspective.
- Subhash Basak (University of Minnesota Duluth, USA)
9:30 AM - 10:15 AM
Room: Lacture room 124
10:15 AM Cocktail
Cocktail
10:15 AM - 10:45 AM
Room: Lacture room 124
10:45 AM Title - To be announced - Marjan Vračko (National Institute of Chemistry, Ljubljana, Slovenia)
Title - To be announced
- Marjan Vračko (National Institute of Chemistry, Ljubljana, Slovenia)
10:45 AM - 11:15 AM
Invited lecture - 1
11:15 AM Tentative title: Digital Chemistry as an Interplay of Chemistry, Mathematics and Informatics - Denis Sabirov (Institute of Petrochemistry and Catalysis of Russian Academy of Sciences, Russia)
Tentative title: Digital Chemistry as an Interplay of Chemistry, Mathematics and Informatics
- Denis Sabirov (Institute of Petrochemistry and Catalysis of Russian Academy of Sciences, Russia)
11:15 AM - 11:45 AM
Room: Lacture room 124
11:45 AM Lunch break
Lunch break
11:45 AM - 1:15 PM
Room: Lacture room 124
1:15 PM Machine Learning and Structural Dynamics-Based Approach to Reveal Molecular Mechanism of PTEN Missense Mutations Shared by Cancer and Autism Spectrum Disorder - Guang Hu (School of Life Sciences, Suzhou Medical College of Soochow University, China)
Machine Learning and Structural Dynamics-Based Approach to Reveal Molecular Mechanism of PTEN Missense Mutations Shared by Cancer and Autism Spectrum Disorder
- Guang Hu (School of Life Sciences, Suzhou Medical College of Soochow University, China)
1:15 PM - 1:45 PM
Room: Lacture room 124
1:45 PM From Morphology to Chirality: Molecules to Tissues - Claudiu Lungu (University Babes Bolyai, Cluj-Napoca, Romania)
From Morphology to Chirality: Molecules to Tissues
- Claudiu Lungu (University Babes Bolyai, Cluj-Napoca, Romania)
1:45 PM - 2:15 PM
Room: Lacture room 124
2:15 PM Applying Machine Learning Techniques to Evaluate DNA-Reactive Properties of Generic Drug Impurities - Suman Chakrqvarti (VP of MultiCase inc., Ohio, USA)
Applying Machine Learning Techniques to Evaluate DNA-Reactive Properties of Generic Drug Impurities
- Suman Chakrqvarti (VP of MultiCase inc., Ohio, USA)
2:15 PM - 3:00 PM
Room: Lacture room 124
Wednesday, October 15, 2025
9:00 AM Atomic charges and molecular electrostatic potential in drug design: refined empirical approaches - Vladimir Palyulin (M. V. Lomonosov Moscow State University, Russia)
Atomic charges and molecular electrostatic potential in drug design: refined empirical approaches
- Vladimir Palyulin (M. V. Lomonosov Moscow State University, Russia)
9:00 AM - 9:45 AM
Room: Lacture room 124
9:45 AM Higher Dimensional Structures for Better Understanding of the Chemical Space and Its Evolution - Guillermo Restrepo (Max Planck Institute for Mathematics in the Sciences, Leipzig, Germany)
Higher Dimensional Structures for Better Understanding of the Chemical Space and Its Evolution
- Guillermo Restrepo (Max Planck Institute for Mathematics in the Sciences, Leipzig, Germany)
9:45 AM - 10:30 AM
Room: Lacture room 124
10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM
Room: Lacture room 124
11:00 AM A Quantum Chemical Computational Study of Catalytic Activity Invoking CDFT Based Descriptors - Tanmoy Chakraorty
A Quantum Chemical Computational Study of Catalytic Activity Invoking CDFT Based Descriptors
- Tanmoy Chakraorty
11:00 AM - 11:30 AM
Room: Lacture room 124
11:30 AM Modelling the dynamics of molecular clusters with atom-centered density matrix propagation techniques, coupled with time series analysis and two-dimensional correlation approaches - Ljupčo Pejov (Ss. Cyril and Methodius University in Skopje, Macedonia)
Modelling the dynamics of molecular clusters with atom-centered density matrix propagation techniques, coupled with time series analysis and two-dimensional correlation approaches
- Ljupčo Pejov (Ss. Cyril and Methodius University in Skopje, Macedonia)
11:30 AM - 12:00 PM
Room: Lacture room 124
12:00 PM Lunch break
Lunch break
12:00 PM - 1:30 PM
Room: Lacture room 124
1:30 PM Mediation of Electron Transfer by Quadrupolar Interaction in Mixed-Valence Systems with Special Reference to the Biochemical Processes - Suman Mallick (Sharda University, India)
Mediation of Electron Transfer by Quadrupolar Interaction in Mixed-Valence Systems with Special Reference to the Biochemical Processes
- Suman Mallick (Sharda University, India)
1:30 PM - 2:00 PM
Room: Lacture room 124
2:00 PM Laplacian Matrix Descriptors Based on Atomic Properties - Igor Kuzmanovski (Institute of Chemistry)
Laplacian Matrix Descriptors Based on Atomic Properties
- Igor Kuzmanovski (Institute of Chemistry)
2:00 PM - 2:30 PM
Room: Lacture room 124