Vladimir A Palyulin (V A Palyulin)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 65

Top Venues

Molecules (Basel, Switzerland)

International journal of molecular sciences

Biomolecules

Journal of computational chemistry

Lomonosov Moscow State University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Lomonosov Moscow State University Aug 19 1974

Russia

from J.Researcher to Leading Researcher, Head of Laboratory :: Department of Chemistry

Publications

Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function? Journal of computational chemistry 45 (21) (2024)
Alexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. Molecules (Basel, Switzerland) 29 (3) (2024)
Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function? Journal of computational chemistry (2024)
Ilya S Steshin, Alexander V Vasyankin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Sergey V Panteleev, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. International journal of molecular sciences 25 (2) (2024)
Alexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. Molecules (Basel, Switzerland) 29 (3) (2024)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Sofya V Lushchekina, Tatiana Y Astakhova, Elena N Timokhina, Igor V Serkov, Alexey N Proshin, Yuliya V Soldatova, Darya A Poletaeva, Irina I Faingold, Viktoriya A Mumyatova, Alexei A Terentiev, Eugene V Radchenko, Vladimir A Palyulin, Sergey O Bachurin, Rudy J Richardson
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease. Molecules (Basel, Switzerland) 29 (2) (2024)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Sofya V Lushchekina, Tatiana Y Astakhova, Elena N Timokhina, Igor V Serkov, Alexey N Proshin, Yuliya V Soldatova, Darya A Poletaeva, Irina I Faingold, Viktoriya A Mumyatova, Alexei A Terentiev, Eugene V Radchenko, Vladimir A Palyulin, Sergey O Bachurin, Rudy J Richardson
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease. Molecules (Basel, Switzerland) 29 (2) (2024)
Alexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. Molecules (Basel, Switzerland) 29 (3) (2024)
Alexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. Molecules (Basel, Switzerland) 29 (3) (2024)
Alexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. Molecules (Basel, Switzerland) 29 (3) (2024)
Ilya S Steshin, Alexander V Vasyankin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Sergey V Panteleev, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. International journal of molecular sciences 25 (2) (2024)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Sofya V Lushchekina, Tatiana Y Astakhova, Elena N Timokhina, Igor V Serkov, Alexey N Proshin, Yuliya V Soldatova, Darya A Poletaeva, Irina I Faingold, Viktoriya A Mumyatova, Alexei A Terentiev, Eugene V Radchenko, Vladimir A Palyulin, Sergey O Bachurin, Rudy J Richardson
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease. Molecules (Basel, Switzerland) 29 (2) (2024)
Ilya S Steshin, Alexander V Vasyankin, Ekaterina A Shirokova, Alexey V Rozhkov, Grigory D Livshits, Sergey V Panteleev, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study. International journal of molecular sciences 25 (2) (2024)
Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function? Journal of computational chemistry 45 (21) (2024)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Sofya V Lushchekina, Tatiana Y Astakhova, Elena N Timokhina, Igor V Serkov, Alexey N Proshin, Yuliya V Soldatova, Darya A Poletaeva, Irina I Faingold, Viktoriya A Mumyatova, Alexei A Terentiev, Eugene V Radchenko, Vladimir A Palyulin, Sergey O Bachurin, Rudy J Richardson
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease. Molecules (Basel, Switzerland) 29 (2) (2024)
Liana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, Sergey V Panteleev, Alexey V Rozhkov, Ekaterina A Shirokova, Grigory D Livshits, Alexander V Vasyankin, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane. Molecules (Basel, Switzerland) 28 (3) (2023)
Liana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, Sergey V Panteleev, Alexey V Rozhkov, Ekaterina A Shirokova, Grigory D Livshits, Alexander V Vasyankin, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane. Molecules (Basel, Switzerland) 28 (3) (2023)
Elena A Golubeva, Mstislav I Lavrov, Polina N Veremeeva, Tatiana V Vyunova, Konstantin V Shevchenko, Maxim A Topchiy, Andrey F Asachenko, Vladimir A Palyulin
New Allosteric Modulators of AMPA Receptors: Synthesis and Study of Their Functional Activity by Radioligand-Receptor Binding Analysis. International journal of molecular sciences 24 (12) (2023)
Liana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, Sergey V Panteleev, Alexey V Rozhkov, Ekaterina A Shirokova, Grigory D Livshits, Alexander V Vasyankin, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane. Molecules (Basel, Switzerland) 28 (3) (2023)
Eugene V Radchenko, Grigory V Antonyan, Stanislav K Ignatov, Vladimir A Palyulin
Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds. Molecules (Basel, Switzerland) 28 (2) (2023)
Elena A Golubeva, Mstislav I Lavrov, Polina N Veremeeva, Tatiana V Vyunova, Konstantin V Shevchenko, Maxim A Topchiy, Andrey F Asachenko, Vladimir A Palyulin
New Allosteric Modulators of AMPA Receptors: Synthesis and Study of Their Functional Activity by Radioligand-Receptor Binding Analysis. International journal of molecular sciences 24 (12) (2023)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Maria V Grishchenko, Sofya V Lushchekina, Tatiana Y Astakhova, Olga G Serebryakova, Elena N Timokhina, Ekaterina F Zhilina, Evgeny V Shchegolkov, Mariya V Ulitko, Eugene V Radchenko, Vladimir A Palyulin, Yanina V Burgart, Victor I Saloutin, Sergey O Bachurin, Rudy J Richardson
Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer's Disease. International journal of molecular sciences 24 (3) (2023)
Dmitry A Vasilenko, Nadezhda S Temnyakova, Sevastian E Dronov, Eugene V Radchenko, Yuri K Grishin, Alexey V Gabrel'yan, Vladimir L Zamoyski, Vladimir V Grigoriev, Elena B Averina, Vladimir A Palyulin
5-Nitroisoxazoles in S N Ar Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA Receptors. International journal of molecular sciences 24 (22) (2023)
Eugene V Radchenko, Grigory V Antonyan, Stanislav K Ignatov, Vladimir A Palyulin
Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds. Molecules (Basel, Switzerland) 28 (2) (2023)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Maria V Grishchenko, Sofya V Lushchekina, Tatiana Y Astakhova, Olga G Serebryakova, Elena N Timokhina, Ekaterina F Zhilina, Evgeny V Shchegolkov, Mariya V Ulitko, Eugene V Radchenko, Vladimir A Palyulin, Yanina V Burgart, Victor I Saloutin, Sergey O Bachurin, Rudy J Richardson
Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer's Disease. International journal of molecular sciences 24 (3) (2023)
Liana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, Sergey V Panteleev, Alexey V Rozhkov, Ekaterina A Shirokova, Grigory D Livshits, Alexander V Vasyankin, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane. Molecules (Basel, Switzerland) 28 (3) (2023)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Maria V Grishchenko, Sofya V Lushchekina, Tatiana Y Astakhova, Olga G Serebryakova, Elena N Timokhina, Ekaterina F Zhilina, Evgeny V Shchegolkov, Mariya V Ulitko, Eugene V Radchenko, Vladimir A Palyulin, Yanina V Burgart, Victor I Saloutin, Sergey O Bachurin, Rudy J Richardson
Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer's Disease. International journal of molecular sciences 24 (3) (2023)
Eugene V Radchenko, Grigory V Antonyan, Stanislav K Ignatov, Vladimir A Palyulin
Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds. Molecules (Basel, Switzerland) 28 (2) (2023)
Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
On hidden anisotropy of formally charged fragments. Journal of computational chemistry (2023)
Eugene V Radchenko, Grigory V Antonyan, Stanislav K Ignatov, Vladimir A Palyulin
Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds. Molecules (Basel, Switzerland) 28 (2) (2023)
Liana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, Sergey V Panteleev, Alexey V Rozhkov, Ekaterina A Shirokova, Grigory D Livshits, Alexander V Vasyankin, Eugene V Radchenko, Stanislav K Ignatov, Vladimir A Palyulin
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane. Molecules (Basel, Switzerland) 28 (3) (2023)
Elena A Golubeva, Mstislav I Lavrov, Polina N Veremeeva, Tatiana V Vyunova, Konstantin V Shevchenko, Maxim A Topchiy, Andrey F Asachenko, Vladimir A Palyulin
New Allosteric Modulators of AMPA Receptors: Synthesis and Study of Their Functional Activity by Radioligand-Receptor Binding Analysis. International journal of molecular sciences 24 (12) (2023)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Maria V Grishchenko, Sofya V Lushchekina, Tatiana Y Astakhova, Olga G Serebryakova, Elena N Timokhina, Ekaterina F Zhilina, Evgeny V Shchegolkov, Mariya V Ulitko, Eugene V Radchenko, Vladimir A Palyulin, Yanina V Burgart, Victor I Saloutin, Sergey O Bachurin, Rudy J Richardson
Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer's Disease. International journal of molecular sciences 24 (3) (2023)
Kseniya N Sedenkova, Denis V Zverev, Anna A Nazarova, Mstislav I Lavrov, Eugene V Radchenko, Yuri K Grishin, Alexey V Gabrel'yan, Vladimir L Zamoyski, Vladimir V Grigoriev, Elena B Averina, Vladimir A Palyulin
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis. Molecules (Basel, Switzerland) 27 (23) (2022)
Dmitry A Shulga, Arslan R Shaimardanov, Nikita N Ivanov, Vladimir A Palyulin
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features. International journal of molecular sciences 23 (23) (2022)
Natalia A Elkina, Maria V Grishchenko, Evgeny V Shchegolkov, Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Sofya V Lushchekina, Tatiana Y Astakhova, Eugene V Radchenko, Vladimir A Palyulin, Ekaterina F Zhilina, Anastasiya N Perminova, Luka S Lapshin, Yanina V Burgart, Victor I Saloutin, Rudy J Richardson
New Multifunctional Agents for Potential Alzheimer's Disease Treatment Based on Tacrine Conjugates with 2-Arylhydrazinylidene-1,3-Diketones. Biomolecules 12 (11) (2022)
Dmitry A Shulga, Arslan R Shaimardanov, Nikita N Ivanov, Vladimir A Palyulin
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features. International journal of molecular sciences 23 (23) (2022)
Dmitry A Shulga, Arslan R Shaimardanov, Nikita N Ivanov, Vladimir A Palyulin
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features. International journal of molecular sciences 23 (23) (2022)
Dmitry A Shulga, Nikita N Ivanov, Vladimir A Palyulin
In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment Contributions. Molecules (Basel, Switzerland) 27 (6) (2022)
Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Is an Inductive Effect Explicit Account Required for Atomic Charges Aimed at Use within the Force Fields? The journal of physical chemistry. A 126 (36) (2022)
Dmitry A Shulga, Arslan R Shaimardanov, Nikita N Ivanov, Vladimir A Palyulin
Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features. International journal of molecular sciences 23 (23) (2022)
Kseniya N Sedenkova, Denis V Zverev, Anna A Nazarova, Mstislav I Lavrov, Eugene V Radchenko, Yuri K Grishin, Alexey V Gabrel'yan, Vladimir L Zamoyski, Vladimir V Grigoriev, Elena B Averina, Vladimir A Palyulin
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis. Molecules (Basel, Switzerland) 27 (23) (2022)
Elena A Golubeva, Mstislav I Lavrov, Eugene V Radchenko, Vladimir A Palyulin
Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects. Biomolecules 13 (1) (2022)
Elena A Golubeva, Mstislav I Lavrov, Eugene V Radchenko, Vladimir A Palyulin
Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects. Biomolecules 13 (1) (2022)
Elena A Golubeva, Mstislav I Lavrov, Eugene V Radchenko, Vladimir A Palyulin
Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects. Biomolecules 13 (1) (2022)
Kseniya N Sedenkova, Denis V Zverev, Anna A Nazarova, Mstislav I Lavrov, Eugene V Radchenko, Yuri K Grishin, Alexey V Gabrel'yan, Vladimir L Zamoyski, Vladimir V Grigoriev, Elena B Averina, Vladimir A Palyulin
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis. Molecules (Basel, Switzerland) 27 (23) (2022)
Galina F Makhaeva, Nadezhda V Kovaleva, Natalia P Boltneva, Elena V Rudakova, Sofya V Lushchekina, Tatiana Yu Astakhova, Igor V Serkov, Alexey N Proshin, Eugene V Radchenko, Vladimir A Palyulin, Jan Korabecny, Ondrej Soukup, Sergey O Bachurin, Rudy J Richardson
Bis-Amiridines as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: N -Functionalization Determines the Multitarget Anti-Alzheimer's Activity Profile. Molecules (Basel, Switzerland) 27 (3) (2022)
Kseniya N Sedenkova, Denis V Zverev, Anna A Nazarova, Mstislav I Lavrov, Eugene V Radchenko, Yuri K Grishin, Alexey V Gabrel'yan, Vladimir L Zamoyski, Vladimir V Grigoriev, Elena B Averina, Vladimir A Palyulin
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis. Molecules (Basel, Switzerland) 27 (23) (2022)
Prasanna Anjaneyulu Yakkala, Samir R Panda, Syed Shafi, Vegi Ganga Modi Naidu, M Shahar Yar, Philemon N Ubanako, Samson A Adeyemi, Pradeep Kumar, Yahya Essop Choonara, Eugene V Radchenko, Vladimir A Palyulin, Ahmed Kamal
Synthesis and Cytotoxic Activity of 1,2,4-Triazolo-Linked Bis -Indolyl Conjugates as Dual Inhibitors of Tankyrase and PI3K. Molecules (Basel, Switzerland) 27 (21) (2022)
Dmitry S Karlov, Nadezhda S Temnyakova, Dmitry A Vasilenko, Oleg I Barygin, Mikhail Y Dron, Arseniy S Zhigulin, Elena B Averina, Yuri K Grishin, Vladimir V Grigoriev, Alexey V Gabrel'yan, Viktor A Aniol, Natalia V Gulyaeva, Sergey V Osipenko, Yury I Kostyukevich, Vladimir A Palyulin, Petr A Popov, Maxim V Fedorov
Biphenyl scaffold for the design of NMDA-receptor negative modulators: molecular modeling, synthesis, and biological activity. RSC medicinal chemistry 13 (7) (2022)
Elena A Golubeva, Mstislav I Lavrov, Eugene V Radchenko, Vladimir A Palyulin
Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects. Biomolecules 13 (1) (2022)
Dmitry A Vasilenko, Kirill S Sadovnikov, Kseniya N Sedenkova, Dmitry S Karlov, Eugene V Radchenko, Yuri K Grishin, Victor B Rybakov, Tamara S Kuznetsova, Vladimir L Zamoyski, Vladimir V Grigoriev, Vladimir A Palyulin, Elena B Averina
A Facile Approach to Bis(isoxazoles), Promising Ligands of the AMPA Receptor. Molecules (Basel, Switzerland) 26 (21) (2021)
Galina F Makhaeva, Nadezhda V Kovaleva, Natalia P Boltneva, Sofya V Lushchekina, Tatiana Yu Astakhova, Elena V Rudakova, Alexey N Proshin, Igor V Serkov, Eugene V Radchenko, Vladimir A Palyulin, Sergey O Bachurin, Rudy J Richardson
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's Disease Treatment. Molecules (Basel, Switzerland) 25 (17) (2020)
Galina F Makhaeva, Nadezhda V Kovaleva, Elena V Rudakova, Natalia P Boltneva, Sofya V Lushchekina, Irina I Faingold, Darya A Poletaeva, Yuliya V Soldatova, Raisa A Kotelnikova, Igor V Serkov, Anatoly K Ustinov, Alexey N Proshin, Eugene V Radchenko, Vladimir A Palyulin, Rudy J Richardson
New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer's Disease Treatment. Molecules (Basel, Switzerland) 25 (24) (2020)
Eugene V Radchenko, Alina S Dyabina, Vladimir A Palyulin
Towards Deep Neural Network Models for the Prediction of the Blood-Brain Barrier Permeability for Diverse Organic Compounds. Molecules (Basel, Switzerland) 25 (24) (2020)
Vladimir P Berishvili, Alexander N Kuimov, Andrew E Voronkov, Eugene V Radchenko, Pradeep Kumar, Yahya Essop Choonara, Viness Pillay, Ahmed Kamal, Vladimir A Palyulin
Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies. Molecules (Basel, Switzerland) 25 (14) (2020)
Mstislav I Lavrov, Dmitry S Karlov, Tatiana A Voronina, Vladimir V Grigoriev, Aleksey A Ustyugov, Sergey O Bachurin, Vladimir A Palyulin
Novel Positive Allosteric Modulators of AMPA Receptors Based on 3,7-Diazabicyclo[3.3.1]nonane Scaffold. Molecular neurobiology 57 (1) (2019)
Anna A Nazarova, Kseniya N Sedenkova, Dmitry S Karlov, Mstislav I Lavrov, Yuri K Grishin, Tamara S Kuznetsova, Vladimir L Zamoyski, Vladimir V Grigoriev, Elena B Averina, Vladimir A Palyulin
Bivalent AMPA receptor positive allosteric modulators of the bis(pyrimidine) series. MedChemComm 10 (9) (2019)
Vladimir P Berishvili, Valentin O Perkin, Andrew E Voronkov, Eugene V Radchenko, Riyaz Syed, Chittireddy Venkata Ramana Reddy, Viness Pillay, Pradeep Kumar, Yahya E Choonara, Ahmed Kamal, Vladimir A Palyulin
Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors. Journal of chemical information and modeling 59 (8) (2019)
Ksenia A Sapozhnikova, Nikita A Slesarchuk, Alexey A Orlov, Evgeny V Khvatov, Eugene V Radchenko, Alexey A Chistov, Alexey V Ustinov, Vladimir A Palyulin, Liubov I Kozlovskaya, Dmitry I Osolodkin, Vladimir A Korshun, Vladimir A Brylev
Ramified derivatives of 5-(perylen-3-ylethynyl)uracil-1-acetic acid and their antiviral properties. RSC advances 9 (45) (2019)
Oleg I Titov, Dmitry A Shulga, Vladimir A Palyulin
Quadrupole Correction: From Molecular Electrostatic Potential to Free Energies of Halogen Bonding. Journal of chemical theory and computation 15 (2) (2019)
Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Iterative Solvers for Empirical Partial Atomic Charges: Breaking the Curse of Cubic Numerical Complexity. Journal of chemical information and modeling 59 (4) (2019)
Ekaterina A Sosnina, Dmitry I Osolodkin, Eugene V Radchenko, Sergey Sosnin, Vladimir A Palyulin
Influence of Descriptor Implementation on Compound Ranking Based on Multiparameter Assessment. Journal of chemical information and modeling 58 (5) (2018)
Dmitry S Karlov, Mstislav I Lavrov, Vladimir A Palyulin, Nikolay S Zefirov
MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators. Journal of biomolecular structure & dynamics 36 (10) (2017)
D A Shulga, O I Titov, S A Pisarev, Vladimir A Palyulin
Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fields. SAR and QSAR in environmental research 29 (1) (2017)

Vladimir A Palyulin.css-eqlu8i{font-size:small;padding-left:4px;} (V A Palyulin)

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Vladimir A Palyulin (V A Palyulin)