The “Hockey Sticks” Effect Revisited: The Conformational and Electronic Properties of 3,7-Dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM Perspective
Bushmarinov, I. S, Fedyanin, I. V, Lyssenko, K. A, Lapteva, V. L, Pisarev, S. A, Palyulin, V. A, Zefirov, N. S, Antipin, M. Yu
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
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Journal Article
Synthesis and properties of diadamantyl-containing symmetric diureas as target-oriented inhibitors of human soluble epoxide hydrolase
Burmistrov, V. V., Butov, G. M., Karlov, D. S., Palyulin, V. A., Zefirov, N. S., Morisseau, C., Hammock, B. D.
Published in Russian journal of bioorganic chemistry (01.07.2016)
Published in Russian journal of bioorganic chemistry (01.07.2016)
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Journal Article
Prediction of human intestinal absorption of drug compounds
Radchenko, E. V., Dyabina, A. S., Palyulin, V. A., Zefirov, N. S.
Published in Russian chemical bulletin (01.02.2016)
Published in Russian chemical bulletin (01.02.2016)
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Journal Article
Prediction of blood-brain barrier permeability of organic compounds
Dyabina, A. S., Radchenko, E. V., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Biochemistry and biophysics (01.09.2016)
Published in Doklady. Biochemistry and biophysics (01.09.2016)
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Journal Article
Organotin compound as an inhibitor of nitric oxide formation
Milaeva, E. R., Shpakovsky, D. B., Radchenko, E. V., Palyulin, V. A., Babkov, D. A., Borisov, A. V., Dodokhova, M. A., Safronenko, A. V., Kotieva, I. M., Spasov, A. A.
Published in Russian chemical bulletin (01.12.2022)
Published in Russian chemical bulletin (01.12.2022)
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Journal Article
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Sushko, I, Pandey, AK, Novotarskyi, S, Körner, R, Rupp, M, Teetz, W, Brandmaier, S, Abdelaziz, A, Prokopenko, VV, Tanchuk, VY, Todeschini, R, Varnek, A, Marcou, G, Ertl, P, Potemkin, V, Grishina, M, Gasteiger, J, Baskin, II, Palyulin, VA, Radchenko, EV, Welsh, WJ, Kholodovych, V, Chekmarev, D, Cherkasov, A, Aires-de-Sousa, J, Zhang, Q-Y, Bender, A, Nigsch, F, Patiny, L, Williams, A, Tkachenko, V, Tetko, IV
Published in Journal of cheminformatics (19.04.2011)
Published in Journal of cheminformatics (19.04.2011)
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Journal Article
Pharmacophore analysis of positive allosteric modulators of AMPA receptors
Karlov, D. S., Lavrov, M. I., Palyulin, V. A., Zefirov, N. S.
Published in Russian chemical bulletin (01.02.2016)
Published in Russian chemical bulletin (01.02.2016)
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Journal Article
Quadrupole correction for halogen bonding description in virtual screening and molecular docking
Titov, O. I., Shulga, D. A., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Chemistry (01.11.2016)
Published in Doklady. Chemistry (01.11.2016)
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Journal Article
Scientific-Methodical Approach to Extension of the Nomenclature for New Class ÀMPA-Receptor Allosteric Modulators – 3,7-Diazabicyclo[3.3.1]nonane Derivatives for Rehabilitation of Patients after Cerebral Accidents
Pyatigorskaya, N V, Brkich, G E, Lavrov, M I, Palyulin, V A, Salnikova, T S
Published in Journal of pharmaceutical sciences and research (01.10.2018)
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Published in Journal of pharmaceutical sciences and research (01.10.2018)
Journal Article
GAG-binding variants of tick-borne encephalitis virus
Kozlovskaya, L.I, Osolodkin, D.I, Shevtsova, A.S, Romanova, L.Iu, Rogova, Y.V, Dzhivanian, T.I, Lyapustin, V.N, Pivanova, G.P, Gmyl, A.P, Palyulin, V.A, Karganova, G.G
Published in Virology (New York, N.Y.) (15.03.2010)
Published in Virology (New York, N.Y.) (15.03.2010)
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Journal Article
Novel bivalent positive allosteric modulators of AMPA receptor
Lavrov, M. I., Grigor’ev, V. V., Bachurin, S. O., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Biochemistry and biophysics (01.09.2015)
Published in Doklady. Biochemistry and biophysics (01.09.2015)
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Journal Article
Combined QSAR studies of inhibitor properties of O-phosphorylated oximes toward serine esterases involved in neurotoxicity, drug metabolism and Alzheimer's disease
Makhaeva, G.F., Radchenko, E.V., Baskin, I.I., Palyulin, V.A., Richardson, R.J., Zefirov, N.S.
Published in SAR and QSAR in environmental research (01.10.2012)
Published in SAR and QSAR in environmental research (01.10.2012)
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Journal Article
Synthesis, crystal and molecular structure of 3,7-ditosyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane
Grishina, I. V., Makeev, D. V., Rybakov, V. B., Lapteva, V. L., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Chemistry (01.11.2017)
Published in Doklady. Chemistry (01.11.2017)
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Journal Article
An approach to the interpretation of backpropagation neural network models in QSAR studies
Baskin, I.I., Ait, A.O., Halberstam, N.M., Palyulin, V.A., Zefirov, N.S.
Published in SAR and QSAR in environmental research (01.03.2002)
Published in SAR and QSAR in environmental research (01.03.2002)
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