Alexey Lagunin - Dissemin

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Papers authored by Alexey Lagunin

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2021 Alexander V. Dmitriev

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, Anastassia V. Rudik, Dmitry A. Karasev, Pavel V. Pogodin

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, Alexey A. Lagunin

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, Dmitry A. Filimonov, Vladimir V. Poroikov

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In Silico Prediction of Drug–Drug Interactions Mediated by Cytochrome P450 Isoforms

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2020 Olga Tarasova

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, Nadezhda Biziukova, Dmitry Kireev

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, Alexey Lagunin

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, Sergey Ivanov, Dmitry Filimonov, Vladimir Poroikov

A Computational Approach for the Prediction of Treatment History and the Effectiveness or Failure of Antiretroviral Therapy

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2019 A. V. Rudik

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, A. V. Dmitriev

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, A. A. Lagunin

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, D. A. Filimonov

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, V. V. Poroikov

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PASS-based prediction of metabolites detection in biological systems

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Sandeep Kumar, Sergey Ivanov, Alexey Lagunin

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, Rajesh Kumar Goel

Glycogen synthase kinase-3 inhibition as a potential pharmacological target for vascular dementia: In silico and in vivo evidence

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Alexander V. Dmitriev

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, Alexey A. Lagunin

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, Dmitry А. Karasev, Anastasia V. Rudik, Pavel V. Pogodin, Dmitry A. Filimonov

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, Vladimir V. Poroikov

Prediction of Drug-Drug Interactions Related to Inhibition or Induction of Drug-Metabolizing Enzymes

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Anastasiya Rudik

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, Vladislav Bezhentsev, Alexander Dmitriev

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, Alexey Lagunin

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, Dmitry Filimonov

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, Vladimir Poroikov

Metatox - Web application for generation of metabolic pathways and toxicity estimation

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Alexey A. Lagunin

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, Athina Geronikaki, Phaedra Eleftheriou, Pavel V. Pogodin

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, Alexey V. Zakharov

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Rational Use of Heterogeneous Data in Quantitative Structure–Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors

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A. V. Rudik, A. V. Dmitriev

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, A. A. Lagunin

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, S. M. Ivanov, D. A. Filimonov

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, V. V. Poroikov

Xenobiotic toxicity prediction combined with xenobiotic metabolism prediction in the human body

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2018 S. M. Ivanov, A. A. Lagunin

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, D. A. Filimonov

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, V. V. Poroikov

Computer Prediction of Adverse Drug Effects on the Cardiovascular System

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Alexey A. Lagunin

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, Maria A. Romanova, Anton D. Zadorozhny, Natalia S. Kurilenko, Boris V. Shilov, Pavel V. Pogodin, Sergey M. Ivanov, Dmitry A. Filimonov

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, Vladimir V. Poroikov

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

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V.-A.-D. V. Negrebetsky, S. V. Vorobyev, E. P. Kramarova, A. G. Shipov, T. A. Shmigol, Y.-U. I. Baukov, A. A. Lagunin

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, A. A. Korlyukov, D. E. Arkhipov

Lactamomethyl derivatives of diphenols: synthesis, structure, and potential biological activity

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D. A. Karasev, A. V. Veselovsky, A. A. Lagunin

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, D. A. Filimonov

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, B. N. Sobolev

Determination of Amino Acid Residues Responsible for Specific Interaction of Protein Kinases with Small Molecule Inhibitors

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Pavel V. Pogodin, Alexey A. Lagunin

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, Anastasia V. Rudik, Dmitry A. Filimonov

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, Dmitry S. Druzhilovskiy

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, Mark C. Nicklaus, Vladimir V. Poroikov

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

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V. R. Khairullina, A. Y.-A. Gerchikov, A. A. Lagunin

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, F. S. Zarudii

QSAR Modelling of Thymidylate Synthase Inhibitors in a Series of Quinazoline Derivatives

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2017 R. K. Goel

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, D. Y. Gawande, A. A. Lagunin

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, V. V. Poroikov

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Pharmacological repositioning of Achyranthes aspera as an antidepressant using pharmacoinformatic tools PASS and PharmaExpert: a case study with wet lab validation

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Olga Tarasova

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, Anastassia Rudik, Alexander Dmitriev

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, Alexey Lagunin

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, Dmitry Filimonov

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, Vladimir Poroikov

QNA-Based Prediction of Sites of Metabolism

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A. V. Rudik

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, A. V. Dmitriev

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, V. M. Bezhentsev, A. A. Lagunin

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, D. A. Filimonov

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, V. V. Poroikov

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Prediction of metabolites of epoxidation reaction in MetaTox

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D. S. Druzhilovskiy

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, A. V. Rudik, D. A. Filimonov

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, T. A. Gloriozova, A. A. Lagunin

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, A. V. Dmitriev

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, P. V. Pogodin, V. I. Dubovskaya, S. M. Ivanov, O. A. Tarasova, V. M. Bezhentsev, K. A. Murtazalieva, M. I. Semin, I. S. Maiorov, A. S. Gaur and 2 other authors

Computational platform Way2Drug: from the prediction of biological activity to drug repurposing

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Anastasia V. Rudik

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, Vladislav M. Bezhentsev, Alexander V. Dmitriev

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, Dmitry S. Druzhilovskiy

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, Alexey A. Lagunin

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, Dmitry A. Filimonov

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, Vladimir V. Poroikov

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics’ Metabolites

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A. A. Nikolin, E. P. Kramarova, A. A. Korlyukov, D. E. Arkhipov, A. G. Shipov, Y.-U. I. Baukov, A. A. Lagunin

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, T. A. Shmigol, V.-A.-D. V. Negrebetsky

Synthesis and structure of the first representative of pentacoordinate C,O-chelates with a dipeptide fragment, the fluorosilane Ts—Gly—(S)-Pro—N(Me)CH2SiMe2F

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