A new software for fragment-based QSAR and its applications

por Sosnin, Sergey B, Palyulin, Vladimir A, Zefirov, Nikolay S
Publicado 2014

Towards Deep Neural Network Models for the Prediction of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

por Radchenko, Eugene V., Dyabina, Alina S., Palyulin, Vladimir A.
Publicado 2020

In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment Contributions

por Shulga, Dmitry A., Ivanov, Nikita N., Palyulin, Vladimir A.
Publicado 2022

Ionotropic GABA receptors: modelling and design of selective ligands

por Palyulin, Vladimir A, Radchenko, EV, Osolodkin, DE, Chupakhin, VI, Zefirov, NS
Publicado 2010

Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features

por Shulga, Dmitry A., Shaimardanov, Arslan R., Ivanov, Nikita N., Palyulin, Vladimir A.
Publicado 2022

Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects

por Golubeva, Elena A., Lavrov, Mstislav I., Radchenko, Eugene V., Palyulin, Vladimir A.
Publicado 2022

Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds

por Radchenko, Eugene V., Antonyan, Grigory V., Ignatov, Stanislav K., Palyulin, Vladimir A.
Publicado 2023

Enhanced taxonomy annotation of antiviral activity data from ChEMBL

por Nikitina, Anastasia A, Orlov, Alexey A, Kozlovskaya, Liubov I, Palyulin, Vladimir A, Osolodkin, Dmitry I
Publicado 2019

Computational studies of flaviviruses: approaching to novel fusion inhibitors

por Osolodkin, Dmitry I, Kozlovskaya, Liubov I, Karganova, Galina G, Dueva, Evgenia V, Palyulin, Vladimir A, Zefirov, Nikolay S, Pentkovski, Vladimir M
Publicado 2012

New Allosteric Modulators of AMPA Receptors: Synthesis and Study of Their Functional Activity by Radioligand-Receptor Binding Analysis

por Golubeva, Elena A., Lavrov, Mstislav I., Veremeeva, Polina N., Vyunova, Tatiana V., Shevchenko, Konstantin V., Topchiy, Maxim A., Asachenko, Andrey F., Palyulin, Vladimir A.
Publicado 2023

Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies

por Berishvili, Vladimir P., Kuimov, Alexander N., Voronkov, Andrew E., Radchenko, Eugene V., Kumar, Pradeep, Choonara, Yahya E., Pillay, Viness, Kamal, Ahmed, Palyulin, Vladimir A.
Publicado 2020

Spectrum of antiviral activity of 4-aminopyrimidine N-oxides against a broad panel of tick-borne encephalitis virus strains

por Dueva, Evgenia V, Tuchynskaya, Ksenia K, Kozlovskaya, Liubov I, Osolodkin, Dmitry I, Sedenkova, Kseniya N, Averina, Elena B, Palyulin, Vladimir A, Karganova, Galina G
Publicado 2020

5-Nitroisoxazoles in S(N)Ar Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA Receptors

por Vasilenko, Dmitry A., Temnyakova, Nadezhda S., Dronov, Sevastian E., Radchenko, Eugene V., Grishin, Yuri K., Gabrel’yan, Alexey V., Zamoyski, Vladimir L., Grigoriev, Vladimir V., Averina, Elena B., Palyulin, Vladimir A.
Publicado 2023

Examination of molecular space and feasible structures of bioactive components of humic substances by FTICR MS data mining in ChEMBL database

por Orlov, Alexey A., Zherebker, Alexander, Eletskaya, Anastasia A., Chernikov, Viktor S., Kozlovskaya, Liubov I., Zhernov, Yury V., Kostyukevich, Yury, Palyulin, Vladimir A., Nikolaev, Eugene N., Osolodkin, Dmitry I., Perminova, Irina V.
Publicado 2019

Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane

por Savintseva, Liana A., Steshin, Ilya S., Avdoshin, Alexander A., Panteleev, Sergey V., Rozhkov, Alexey V., Shirokova, Ekaterina A., Livshits, Grigory D., Vasyankin, Alexander V., Radchenko, Eugene V., Ignatov, Stanislav K., Palyulin, Vladimir A.
Publicado 2023

A Facile Approach to Bis(isoxazoles), Promising Ligands of the AMPA Receptor

por Vasilenko, Dmitry A., Sadovnikov, Kirill S., Sedenkova, Kseniya N., Karlov, Dmitry S., Radchenko, Eugene V., Grishin, Yuri K., Rybakov, Victor B., Kuznetsova, Tamara S., Zamoyski, Vladimir L., Grigoriev, Vladimir V., Palyulin, Vladimir A., Averina, Elena B.
Publicado 2021

Synthesis and Cytotoxic Activity of 1,2,4-Triazolo-Linked Bis-Indolyl Conjugates as Dual Inhibitors of Tankyrase and PI3K

por Yakkala, Prasanna A., Panda, Samir R., Shafi, Syed, Naidu, V. G. M., Yar, M. Shahar, Ubanako, Philemon N., Adeyemi, Samson A., Kumar, Pradeep, Choonara, Yahya E., Radchenko, Eugene V., Palyulin, Vladimir A., Kamal, Ahmed
Publicado 2022

Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis

por Sedenkova, Kseniya N., Zverev, Denis V., Nazarova, Anna A., Lavrov, Mstislav I., Radchenko, Eugene V., Grishin, Yuri K., Gabrel’yan, Alexey V., Zamoyski, Vladimir L., Grigoriev, Vladimir V., Averina, Elena B., Palyulin, Vladimir A.
Publicado 2022

New Hybrids of 4-Amino-2,3-polymethylene-quinoline and p-Tolylsulfonamide as Dual Inhibitors of Acetyl- and Butyrylcholinesterase and Potential Multifunctional Agents for Alzheimer...

por Makhaeva, Galina F., Kovaleva, Nadezhda V., Boltneva, Natalia P., Lushchekina, Sofya V., Astakhova, Tatiana Yu., Rudakova, Elena V., Proshin, Alexey N., Serkov, Igor V., Radchenko, Eugene V., Palyulin, Vladimir A., Bachurin, Sergey O., Richardson, Rudy J.
Publicado 2020

Ramified derivatives of 5-(perylen-3-ylethynyl)uracil-1-acetic acid and their antiviral properties

por Sapozhnikova, Ksenia A., Slesarchuk, Nikita A., Orlov, Alexey A., Khvatov, Evgeny V., Radchenko, Eugene V., Chistov, Alexey A., Ustinov, Alexey V., Palyulin, Vladimir A., Kozlovskaya, Liubov I., Osolodkin, Dmitry I., Korshun, Vladimir A., Brylev, Vladimir A.
Publicado 2019