SYMPOSIUM PROGRAM

Dear colleagues, the final program of the XXX Symposium on Bioinformatics and Computer-Aided Drug Discovery will be finally composed by 12 September 2024.

Three types of reports will be presented at the Symposium:

Plenary/Keynote lectures - 20 minutes per talk + 10 minutes for questions, answers, and discussions.

Oral presentations - 15 minutes per talk + 5 minutes for questions, answers, and discussions.

Young Scientists flash presentations - 5 minutes per talk + 5 minutes for questions, answers, and discussions.

All reports will be presented in English.

List of the confirmed plenary/keynote lectures:

COMPUTATIONAL DESIGN AND REPURPOSING OF DRUGS FOR CORONAVIRUSES AND DRUG RESISTANT PATHOGENS

David Winkler

• Monash Institute of Pharmaceutical Sciences, Australia

HOW MANY DRUG TARGETS DO WE NEED?

Alexander Kel

• geneXplain GmbH, Wolfenbüttel, Germany; RCSI, Dublin, Ireland

EXPLORING THE CHEMICAL SPACE AND MULTIVERSE OF FOOD CHEMICALS AND NATURAL PRODUCTS

José L. Medina-Franco

• National Autonomous University of Mexico, Mexico

COMBATING CYSTIC FIBROSIS: COMPUTATIONAL STUDIES ON CFTR

Hanoch Senderowitz

• Bar-Ilan University, Israel

MOLECULAR DYNAMICS SIMULATIONS IN DRUG DISCOVERY: PERSPECTIVES AND INSIGHTS

Igor Jose dos Nascimento

• Center for Higher Studies of Maceió (CESMAC), Campina Grande-PB, Brazil

DEVELOPMENT AND APPLICATION OF PRE-POLARIZED ATOMIC CHARGES IN MD SIMULATIONS: THE GLYCAM-HYBRID FORCE FIELD

Robert Woods

• Complex Carbohydrate Research Center, University of Georgia, Athens, GA, USA

EXTENDED SIMILARITY INDICES—ENHANCED WAY TO EXPRESS MOLECULAR SIMILARITY AND DIVERSITY

Károly Héberger

• HUN-REN Research Centre for Natural Sciences, Institute of Excellence, Hungarian Academy of Sciences, Budapest, Hungary

ADVANCEMENTS IN COCONUT DATABASE AND AUTOMATED CHEMICAL DATA MINING FROM PRINTED LITERATURE

Kohulan Rajan

• Institute of Inorganic and Analytical Chemistry - Cheminformatics and Chemometrics, Friedrich-Schiller-University, Germany

ALPHAFOLD-LIKE MODELS FOR SMALL MOLECULE STRUCTURE PREDICTION

Petr Popov

• Skolkovo Institute of Science and Technology, Moscow, Russia

INTERFERING PEPTIDES AS INHIBITORS OF TRANSMENBRANE RECEPTORS INVOLVED IN SEVERAL PATHOPHYSIOLOGICAL CONTEXTS

Amar Bennasroune

• University of Reims, Reims, France

SQUARE ANTIPRISM IS A KEY DETERMINANT FOR POTASSIUM ION SELECTIVITY

Anton Chugunov

• Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

DEVELOPMENT AND APPLICATION OF A WEB-BASED INTEGRATED PLATFORM D3CARP FOR TARGET PREDICTION AND VIRTUAL SCREENING

Weiliang Zhu

• Shanghai Institute of Materia Medica, Chinese Academy of Sciences, China

ON A SIMPLE FRAMEWORK OF DIMENSIONALITY REDUCTION FOR CLASSIFICATION MODELING OF SPARSE ENVIRONMENTAL TOXICITY DATA

Kunal Roy

• Jadavpur University, India

STRUCTURAL PHARMACOLOGY OF TRANSIENT RECEPTOR POTENTIAL CHANNELS

Arthur Neuberger

• Columbia University, New York, USA

FINE MAPPING OF BIOMOLECULAR SURFACES USING THE NEW MOLECULAR SURFACE TOPOGRAPHY (MST) WEB TOOL

Yuri A. Trofimov

• Moscow Engineering Physics Institute, Russia

COMPREHENSIVE COMPUTATIONAL SYSTEMS BIOLOGY MODEL OF BLOOD PLATELET SIGNALLING: A TOOL FOR BASIC RESEARCH, DIAGNOSTICS AND PHARMACOLOGY

Anastasia Sveshnikova

• Dmitry Rogachev National Research Center of Pediatric Hematology, Oncology and Immunology, Moscow, Russia

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