THE TARGET IDENTIFICATION BOTTLENECK

Frank Eisenhaber (Play)

FROM GPCR BASIC RESEARCH TO DRUG DISCOVERY VIA COMPUTATIONAL METHODS

Shuguang Yuan (Play)

THE PHILOSOPHY AND PROSPECTS OF FRAGMENT CONTRIBUTION ESTIMATIONS IN DRUG DISCOVERY

Dmitry Shulga (Play)

INTERACTION AND INHIBITION OF ALPHA-GLUCOSIDASE WITH SELECTED MONOTERPENES

S. Balaji (Play)

TARGETED PROTEOMICS FOR HEALTH ANALYTICS: OPPORTUNITIES AND CHALLENGES

Elena Ponomarenko (Play)

GENE NETWORKS AND DRUGS. WHAT CAN WE LEARN USING BIO- AND CHEMOINFORMATICS?

Alexander Kel (Play)

ANDSYSTEM AUTOMATED RECONSTRUCTION OF GENE NETWORKS FOR OMICS-DATA INTERPRETATION IN MEDICAL AND BIOLOGICAL RESEARCH

Vladimir Ivanisenko (Play)

SYSTEM PHARMACOLOGY IN DRUG DISCOVERY

Sajjad Gharaghani (Play)

DISCOVERY OF NOVEL TANKYRASE INHIBITOR CHEMOTYPES AN INSIGHTFUL TEST CASE FOR VIRTUAL SCREENING AND MOLECULAR MODELING APPROACHES

Eugene Radchenko (Play)

COMPUTATIONAL STUDIES ON GREEN PESTICIDES

Hanoch Senderowitz (Play)

ALPHAFOLD: PREDICTS OR RECOGNIZES THE PROTEIN STRUCTURE?

Dmitry Ivankov (Play)

DE NOVO GENERATION OF SYNTHETICALLY FEASIBLE MOLECULES

Guzel Minibaeva (Play)

SYNTHESIS, DOCKING AND IN VITRO ANTICOAGULANT ACTIVITY ASSAY OF RHODANINE DERIVATIVES OF PYRROLO3,2,1-IJQUINOLIN-2(1H)-ONE AS NEW INHIBITORS OF FACTOR XA AND FACTOR XIA

Anna Tashchilova (Play)

QSPR ANALYSIS IN PHOTONICS

Andrey Buglak (Play)

HARNESSING MACHINE LEARNING FOR DRUG DISCOVERY

Walter F. de Azevedo, Jr. (Play)

THE USE OF DEEP DOCKING FOR AUTOMATED, CONSENSUS-BASED HIT IDENTIFICATION IN DRUG DISCOVERY

Artem Cherkasov (Play)

SELF CONSISTENT CLASSIFIER SAR APPROACH

Leonid Stolbov (Play)

DEVELOPMENT OF THE "VSAfiR" METHOD AND ITS APPLICATION IN THE DEVELOPMENT OF ANTIEPILEPTICS

Miguel Guerrero-Gonzalez (Play)

MOLECULAR DYNAMICS STUDIES ON THE INTERACTIONS BETWEEN SARS-COV-2 SPIKE PROTEIN AND HACE2 OR MABS

Weiliang Zhu (Play)

COMPETITION AND COLLABORATION OF IN SILICO AND IN VITRO SCREENING IN THE SEARCH FOR NEW ANTIVIRAL COMPOUNDS

Dmitry Osolodkin (Play)

SARS-COV-2 MAIN PROTEASE INHIBITION WITH CARMOFUR A COMPUTATIONAL STUDY

Igor Polyakov (Play)

MOLECULAR DOCKING-ASSISTED INVESTIGATION OF CU(II) COMPLEXES CARRYING “SNS” PINCER-TYPE PYRIDINE-THIOETHER LIGANDS AS POTENTIAL DRUG CANDIDATES AGAINST SARS-COV-2

Tugba Taskin-Tok (Play)

A STRUCTURAL/DYNAMIC MODEL OF SARS-COV-2 SPIKE TRANSMEMBRANE DOMAIN IN CONJUNCTION WITH THE HR2 REGION. IMPLICATIONS FOR MEMBRANE FUSION

Elena Aliper (Play)

DRUG DISCOVERY WITH FRAGMENT MOLECULAR ORBITAL (FMO)

Kyoung Tai No (Play)

HOW DO ENZYMES RECOGNIZE SUBSTRATES AND INHIBITORS: STRUCTURAL AND ELECTRON DENSITY ASPECTS

Maria Khrenova (Play)

COMPUTATIONAL CHARACTERIZATION OF N-ACETYLASPARTYLGLUTAMATE SYNTHETASE FROM THE PROTEIN PRIMARY SEQUENCE TO PLAUSIBLE CATALYTIC MECHANISM

Artem Kniga (Play)

ACTIVITY PREDICTION OF SARS-COV-2 MPRO INHIBITORS BASED ON ENSEMBLE DOCKING AND MACHINE LEARNING

Anastasia Fomina (Play)

PHF10 THE SUBUNIT OF PBAF CHROMATIN REMODELING COMPLEX STRUCTURE AND FUNCTION PREDICTIONS

Anton Chugunov (Play)

UNVEILING THE POTENTIAL DRUG LIGANDS AGAINST VIRULENCE-RELATED HYPOTHETICAL PROTEIN IN CRYPTOCOCCUS NEOFORMANS AN IN SILICO ANALYSIS APPROACH

Dessiree Allyssa Tina (Play)

Polytechnic University of the Philippines, Philippines

VIRTUAL SCREENING OF PLANT-DERIVED COMPOUNDS TARGETING HYDROLYTIC AND LIGNIN DEGRADING ENZYMES OF GANODERMA BONINENSE

Hadiatullah Hadiatullah (Play)

Tianjin University, China

COMPUTATIONAL APPROACH FOR IMPROVING OF KNOWN PERSPECTIVE SARS-COV-2 MPRO INHIBITORS

Anatoliy Bulygin (Play)

Institute of Chemical Biology and Fundamental Medicine; Novosibirsk State University, Russia

MULTI-TARGET APPROACH ON LEISHMANIA DONOVANI AND FINDING OUT POTENT INHIBITORS FOR ESSENTIAL ENZYMES

Debanjan Saha (Play)

Tezpur University, India

SMMOLE - PIPELINE FOR SEARCHING BIOLOGICAL PROPERTIES OF SECONDARY METABOLITES BASED ON THEIR MOLECULAR STRUCTURES

Alexandra Sadovskaya (Play)

St. Petersburg State University, Russia

TESTING THE ACTIVITY OF BIGUANIDES AND SOME NOVEL DESIGNED MOLECULES AGAINST SARS-COV-2 PROTEINS, IN SILICO STUDY

Mohammed Efendi (Play)

Gaziantep University, Turkey

DIMERIC STATES OF TRANSMEMBRANE SEGMENTS OF THE DDR1 RECEPTOR PREDICTED BY ATOMISTIC MODELING

Egor Kozlov (Play)

Moscow Institute of Physics and Technology (National Research University), Russia

APPLICATION OF 2D-QSAR AND CHEMICAL READ-ACROSS ALGORITHM TO PREDICT THE ANDROGEN RECEPTOR BINDING AFFINITY

Arkaprava Banerjee (Play)

Jadavpur University, India

INFORMATION EXTRACTION FROM TEXTS ANTIVIRAL AGENTS ACTIVE AGAINST VIRUS OR HOST PROTEINS

Nadezhda Biziukova (Play)

Institute of Biomedical Chemistry, Russia

STRUCTURAL OPTIMIZATION OF TUBULIN INHIBITORS

Aleksandra Ivanova (Play)

Institute of Molecular and Translation Medicine; Palacky University in Olomouc; University Hospital in Olomouc, Czech Republic

THE CONSENSUS ENSEMBLE NEURAL NETWORK MULTITARGET MODEL OF ANXIOLYTIC ACTIVITY

Maksim Perfilev (Play)

Volgograd State Medical University; Research Center for Innovative Medicines, Russia

MOLECULAR DYNAMIC PHARMACOPHORE AND ITS APPLICATION IN DESIGNING NOVEL MARK4 INHIBITORS

Alina Kutlushina (Play)

Institute of Molecular and Translation Medicine, Czech Republic

ALINA - A DEEP LEARNING BASED PROGRAM FOR PREDICTION OF RNA SECONDARY STRUCTURE WITHOUT SPECIFICATION OF THERMODYNAMIC PARAMETERS

Ivan Kuznetsov (Play)

Moscow University of Finance and Law, Russia

TOWARDS THE DE NOVO DESIGN OF HIV-1 PROTEASE INHIBITORS BASED ON NATURAL PRODUCTS

Ana Luisa Chavez-Hernandez (Play)

National Autonomous University of Mexico, Mexico

EXPLORING THE SCORING FUNCTION SPACE FOR STRUCTURE-BASED DRUG DESIGN

Gabriela Bitencourt-Ferreira (Play)

Pontifical Catholic University of Rio Grande do Sul, Brazil

REPURPOSING OF FDA-DRUGS AS POTENTIAL ERB AGONISTS USING MULTICOMPLEX-BASED PHARMACOPHORE MAPS. A NEW APPROACH IN BREAST CANCER THERAPY

Luis Heriberto Vazquez Mendoza (Play)

Escuela Superior de Medicina del Instituto Politécnico Nacional, Mexico

IN SILICO DESIGN OF QUERCETIN DERIVATIVES WITH POTENTIAL DUAL INHIBITORY ACTIVITY AGAINST GSK3 AND CDK5P25 FOR THE TREATMENT OF ALZHEIMER'S DISEASE

Alessandra Latorre (Play)

Universidad Nacional Mayor de San Marcos, Peru

CONSENSUS VIRTUAL SCREENING OF NATURAL PRODUCT DERIVATIVES AGAINST TUBULIN

Edgar López-López (Play)

Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional; National Autonomous University of Mexico, Mexico

THE STATUS OF THE COMPUTER-AIDED DRUG DESIGN: THEN, NOW AND FUTURE

Garikapati Narahari Sastry (Play)

COMPUTATIONAL DRUG DESIGN FOR MEMBRANE TARGETS: DIVING INTO COMPLEX DETAILS

Roman Efremov (Play)

SPATIOTEMPORAL IDENTIFICATION OF BINDING SITES WITH COMPUTER VISION

Petr Popov (Play)

NEW INHIBITORS OF THE COAGULATION FACTOR XIIA DOCKING AND EXPERIMENTAL VERIFICATION

Vladimir Sulimov (Play)

AN INSIGHT INTO THE ORIGIN OF MICROTUBULE-CURLING EFFECT OF PODOPHYLLOTOXIN ESTERS MOLECULAR DYNAMICS STUDY

Anastasia Borovik (Play)

CONDENSED GRAPH OF REACTION - SWISS-KNIFE TOOL FOR REACTION INFORMATICS

Timur Madzhidov (Play)

CHEMICAL READ-ACROSS PREDICTIONS OF ECOTOXICITY DATA

Kunal Roy (Play)

DEVELOPMENT OF BIOMEDICAL EDUCATIONAL PROGRAMS

Yuriy Orlov (Play)

A COMPREHENSIVE COMPUTATIONAL PHARMACOKINETICS IDENTIFICATION OF BIOTRANSFORMED LEADS FROM CURCUMA CAESIA ROXB

Kuppusamy Selvam Mukunthan (Play)

PHARMACOLOGICAL POTENTIAL OF MULTIPHYTOADAPTOGEN AS POLYVALENT MEDICATION: IN SILICO, IN VITRO, IN VIVO AND CLINICAL STUDIES

Olga Bocharova(Play)

NATURAL PRODUCTS DATABASES AS VALUABLE SOURCES OF BIOACTIVE STRUCTURES FOR VIRTUAL SCREENING

Marcus Scotti (Play)

THE CONSENSUS ENSEMBLE MULTIDESCRIPTOR MULTITARGET NEURAL NETWORK MODELING OF PHARMACOLOGICAL ACTIVITY OF CHEMICAL COMPOUNDS

Pavel Vassiliev (Play)

DATABASE OF ANTIMICROBIAL ACTIVITY AND STRUCTURE OF PEPTIDES (DBAASP) - FINDING A WAY OUT OF MICROBIAL RESISTANCE

Evgenia Alimbarashvili (Play)

AMYLOIDOGENIC PEPTIDES NEW CLASS OF ANTIMICROBIAL PEPTIDES WITH THE NOVEL MECHANISM OF ACTIVITY

Oxana Galzitskaya (Play)

SIMILARITY ASSESSMENTS IN DRUG DISCOVERY

Dmitry Filimonov (Play)

CHEMOINFORMATICS IN DRUG DISCOVERY AND PUBLIC HEALTH: PROGRESS AND CHALLENGES AHEAD

José Medina-Franco (Play)