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 von Bushmarinov, I. S, Fedyanin, I. V, Lyssenko, K. A, Lapteva, V. L, Pisarev, S. A, Palyulin, V. A, Zefirov, N. S, Antipin, M. Yu

Volltext

Synthesis and properties of diadamantyl-containing symmetric diureas as target-oriented inhibitors of human soluble epoxide hydrolase von Burmistrov, V. V., Butov, G. M., Karlov, D. S., Palyulin, V. A., Zefirov, N. S., Morisseau, C., Hammock, B. D.

Volltext

Prediction of human intestinal absorption of drug compounds von Radchenko, E. V., Dyabina, A. S., Palyulin, V. A., Zefirov, N. S.

Volltext

Prediction of blood-brain barrier permeability of organic compounds von Dyabina, A. S., Radchenko, E. V., Palyulin, V. A., Zefirov, N. S.

Volltext

Computer-aided estimation of the hERG-mediated cardiotoxicity risk of potential drug components von Radchenko, E. V., Rulev, Yu. A., Safanyaev, A. Ya, Palyulin, V. A., Zefirov, N. S.

Volltext

Antioxidative Activity of Ferrocenes Bearing 2,6-Di-Tert -Butylphenol Moieties von Milaeva, E. R., Filimonova, S. I., Meleshonkova, N. N., Dubova, L. G., Shevtsova, E. F., Bachurin, S. O., Zefirov, N. S.

Volltext

Synthesis of phthalocyanines with an extended system of π-electron conjugation von Dubinina, T V, Tomilova, L G, Zefirov, N S

Volltext

o-Acylbenzonitriles: Synthesis and Heterocyclization under Acid Hydrolysis of the Cyano Group von Mochalov, S. S., Fedotov, A. N., Trofimova, E. V., Zefirov, N. S.

Volltext

Pharmacophore analysis of positive allosteric modulators of AMPA receptors von Karlov, D. S., Lavrov, M. I., Palyulin, V. A., Zefirov, N. S.

Volltext

On mechanism of allosteric modulation of NMDA receptor via amino-terminal domains von Karlov, D.S., Radchenko, E.V., Zefirov, A.N., Palyulin, V.A., Pentkovski, V.M., Zefirov, N.S.

Volltext

Reductive Heterocyclization of 2-Cyanobenzophenones by the Action of NaBH4. New Efficient Synthesis of 3-Arylphthalides von Mochalov, S. S., Fedotov, A. N., Trofimova, E. V., Zefirov, N. S.

Volltext

Synthesis of symmetrical α-alkyl- and α-arylalkylbenzyl and diarylmethyl ethers by HCl-catalyzed intermolecular dehydration von Mochalov, S. S., Fedotov, A. N., Trofimova, E. V., Zefirov, N. S.

Volltext

Bis(gem-dihalocyclopropanes): synthesis and heterocyclization upon treatment with nitronium triflate von Sedenkov, K. N., Averin, E. B., Grishin, Yu. K., Kuznetsova, T. S., Zefirov, N. S.

Volltext

Methods of synthesis and synthetic application of α-diazomethylphosphonates von Yashin, N. V., Averina, E. B., Kuznetsova, T. S., Zefirov, N. S.

Volltext

Gold nanoparticles modified with coordination compounds of metals: synthesis and application von Beloglazkina, Elena K, Majouga, Alexander G, Romashkina, Renata B, Zyk, Nikolai V, Zefirov, Nikolai S

Volltext

Computer-aided modeling of physicochemical characteristics of various energy sources von Smolenskii, E. A., Pivina, T. S., Ryzhov, A. N., Maslova, L. K., Zefirov, N. S.

Volltext

Quadrupole correction for halogen bonding description in virtual screening and molecular docking von Titov, O. I., Shulga, D. A., Palyulin, V. A., Zefirov, N. S.

Volltext

Oxidative nucleophilic substitution reaction of alkyl iodides upon treatment with perchlorate and dinitramide anions. Synthesis of alkyl-substituted perchlorates von Yashin, N. V., Averina, E. B., Grishin, Yu. K., Rybakov, V. B., Kuznetsova, T. S., Zefirov, N. S.

Volltext

Novel bivalent positive allosteric modulators of AMPA receptor von Lavrov, M. I., Grigor’ev, V. V., Bachurin, S. O., Palyulin, V. A., Zefirov, N. S.

Volltext

Molecular design of proneurogenic and neuroprotective compounds—allosteric NMDA receptor modulators von Karlov, D. S., Radchenko, E. V., Palyulin, V. A., Zefirov, N. S.

Volltext