Dear colleagues, the final program of the XXXII Symposium on Bioinformatics and Computer-Aided Drug Discovery will be finally composed by 16 October 2026.
Three types of reports will be presented at the Symposium:
Plenary lectures - 40 minutes per talk + 20 minutes for questions, answers, and discussions.
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.
To provide the extended feasibilities of communication between the Symposium participants, E-Poster Session will be held on October 1-21, 2026.
The posters are available only for the registered participants of the Symposium, after authorization.
Discussions between the participants will be arranged in private mode, by correspondence. The corresponding author’s email address can be found in the "Address for Correspondence" field.
The Organizing Committee asks the corresponding authors to answer on the questions of other Symposium’s participants as soon as possible.
Participants of the Young Scientists Contest may be also asked by the Members of the International Scientific Committee. Based on the responses, twelve young scientists will be selected for the Flash Presentations by October 8, 2026, and the best young scientists will be awarded by October 21, 2026.
The best posters will be awarded by the special Diplomas.
All reports will be presented in English.
Scheduled time - Moscow (UTC+3).
Monday October 19, 2026 |
|
| 08:30 | Opening of the Symposium |
| Plenary lectures | |
|
09:00
|
MACHINE LEARNING AND AI APPROACHES IN BIOCATALYSIS AND IMMUNOCHEMISTRY Alexander G. Gabibov Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry of the Russian Academy of Sciences, Moscow, Russia |
| Oral presentations | |
| 10:00 | |
| 10:20 | |
| 10:40 | |
| Keynote lectures | |
| 11:00 |
A DYNAMIC QSPR FRAMEWORK FOR UNDERSTANDING DRUG RESISTANCE Maria Khrenova
Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow, Russia
|
| 11:30 |
GENERATIVE DRUG DESIGN: FROM FRAGMENT SEEDS TO SMALL MOLECULE LEADS
Jordi Mestres
Chemotargets, Barcelona, Spain
|
| Oral presentations | |
| 12:00 | |
| 12:20 | |
| 12:40 | |
lunch break 13:00-15:00 |
|
| Keynote lectures | |
| 15:00 |
AN INTERPRETABLE MACHINE LEARNING FRAMEWORK FOR ADVERSE DRUG REACTION PREDICTION FROM DRUG-TARGET INTERACTIONS Alan M. Jones
School of Pharmacy, University of Birmingham, Birmingham, UK
|
| 15:30 |
AI-BASED REDESIGN OF A PERTUSSIS TOXIN PT-A PROTEIN FOR A VACCINE USE Anton Chugunov
Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia
|
| Oral presentations | |
| 16:00 | |
| 16:20 | |
| 16:40 | |
| Keynote lectures | |
| 17:00 |
TBA
Complex Carbohydrate Research Center, University of Georgia, Athens, USA
|
| 17:30 |
CONTEXT-AWARE BIOACTIVITY MODELING: FROM REPRESENTATION TO PREDICTIVE SPACE Karina Martinez Mayorga
National Autonomous University of Mexico, Mexico City, Mexico
|
| Oral presentations | |
| 18:00 | |
| 18:20 | |
| 18:40 | |
Tuesday October 20, 2026 |
|
| Keynote lectures | |
|
09:00
|
TOWARDS DATA-DRIVEN DESIGN OF VISIBLE-LIGHT PHOTOSWITCHES AS PHOTOPHARMACOLOGICAL AGENTS Pavel Sidorov
Hokkaido University, Japan
|
|
09:30
|
LIGAND-MEDIATED CONFORMATIONAL PLASTICITY OF THE PORE DOMAIN OF TRPV6 ION CHANNEL Irina I. Veretenenko
Moscow Institute of Physics and Technology, Dolgoprudny, Russia
|
| Oral presentations | |
| 10:00 | |
| 10:20 | |
| 10:40 | |
| 11:00 | |
| 11:20 | |
| 11:40 | |
| Keynote lectures | |
| 12:00 | |
| 12:30 | |
lunch break 13:00-15:00 |
|
| Young Scientists flash presentations | |
| 15:00 | |
| 15:10 | |
| 15:20 | |
| 15:30 | |
| 15:40 | |
| 15:50 | |
| 16:00 | |
| 16:10 | |
| 16:20 | |
| 16:30 | |
| 16:40 | |
| 16:50 | |
| 17:00 | |
| 17:10 | |
| 17:20 | |
| 17:30 | |
| 17:40 | |
| 17:50 | |
| Keynote lectures | |
| 18:00 |
MACHINE LEARNING METHODOLOGIES AND THE FUTURE OF DRUG DISCOVERY Pedro J. Ballester
Department of Bioengineering, Imperial College London, London, UK
|
| 18:30 |
ACCELERATING BIOLOGICAL DISCOVERY WITH AI
University of Pennsylvania, USA
|
Wednesday October 21, 2026 |
|
| Keynote lectures | |
| 09:00 | |
| 09:00 |
ATOMISTIC INSIGHTS INTO A LANTIBIOTIC’S MECHANISM: AN INTEGRATED MOLECULAR DYNAMICS AND BIOPHYSICAL STUDY Irina Panina
Research Institute for Systems Biology, Rospotrebnadzor, Moscow, Russia
|
| 09:30 |
DELTA: DATABASE FOR EXTENDED LIGAND-TARGET ANALYSES - A NEW BALANCED RESOURCE FOR AI APPLICATIONS IN DRUG DISCOVERY Giulio Vistoli
Università degli Studi di Milano, Milano, Italy
|
| 10:00 | |
| 10:20 | |
| 10:40 | |
| Keynote lectures | |
| 11:00 |
QUERY MATTERS: HOW SELECTION STRATEGIES INFLUENCE ACTIVE LEARNING IN DRUG DISCOVERY David Palmer
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, UK
|
| 11:30 | |
| Oral presentations | |
| 12:00 | |
| 12:20 | |
| 12:40 | |
lunch break 13:00-16:00 |
|
| Keynote lectures | |
| 16:00 |
LIPOPHILICITY IN DRUG DESIGN: EVOLUTION FROM THE RULE OF FIVE TO AI-DRIVEN DISCOVERY William Zamora
University of Costa Rica, San Pedro, San José, Costa Rica; National Advanced Computing Collaboratory (CNCA), National High Technology Center (CeNAT), Costa Rica
|
| 16:30 |
DATASET CONSTRAINTS: A CASE OF PHARMACOLOGICALLY STRATIFIED MULTI-TARGET QSAR BENCHMARK FOR OPIOID RECEPTOR FUNCTIONAL ACTIVITY Khaled M. Elokely
Division of Pharmaceutical Sciences, School of Pharmacy, University of Wyoming, United States
|
| 17:00 |
GRAND CHALLENGES FOR PREDICTIVE MODELING IN SMALL MOLECULE DRUG DISCOVERY Woody Sherman
Psivant Therapeutics, Boston, MA, United States
|
| 17:30 |
WEB SERVICES FOR IN SILICO TOXICITY PREDICTION IN PRECLINICAL DRUG DEVELOPMENT Alexey A. Lagunin
Institute of Biomedical Chemistry, Moscow, Russia
|
| Plenary lectures | |
| 18:00 |
PROTEOME-WIDE AND DOSE-DEPENDENT CHARACTERIZATION OF DRUG MECHANISM OF ACTION Bernhard Küster
Technical University of Munich, Freising, Germany
|
| 19:00 | Сlosure of the XXXII Symposium on Bioinformatics and Computer-Aided Drug Discovery |
