Works matching AU Zefirov, N.

Results: 141

Fragment descriptors in QSPR: Application to magnetic susceptibility calculations.

Published in:

Journal of Structural Chemistry, 2004, v. 45, n. 4, p. 626, doi. 10.1007/s10947-005-0037-2

By:

Zhokhova, N. I.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, A. N.;
Zefirov, N. S.

Publication type:

Article

QSPR: Application to Heat Capacity Calculation.

Published in:

Russian Journal of Organic Chemistry, 2004, v. 40, n. 5, p. 644, doi. 10.1023/B:RUJO.0000043708.34952.ee

By:

Ivanova, A. A.;
Palyulin, V. A.;
Zefirov, A. N.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling Study of the Mechanism of Ligand Binding to Human Melatonin Receptors.

Published in:

Doklady Biochemistry & Biophysics, 2005, v. 403, n. 1-6, p. 284, doi. 10.1007/s10628-005-0093-8

By:

Voronkov, A.;
Ivanov, A.;
Baskin, I.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

The binding site for allosteric modulators of AMPA receptor.

Published in:

Doklady Biochemistry & Biophysics, 2004, v. 399, n. 1-6, p. 351, doi. 10.1007/s10628-005-0005-y

By:

Tikhonova, I. G.;
Lavrov, M. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of N-Terminal Domains of NMDA-Receptor. Study of Ligand Binding to N-Terminal Domains.

Published in:

Doklady Biochemistry & Biophysics, 2004, v. 397, n. 1-6, p. 242, doi. 10.1023/B:DOBI.0000039474.86331.7a

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

3D-Model of the Ion Channel of NMDA Receptor: Qualitative and Quantitative Modeling of the Blocker Binding.

Published in:

Doklady Biochemistry & Biophysics, 2004, v. 396, n. 1-6, p. 181, doi. 10.1023/B:DOBI.0000033524.51696.37

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

The Modeling of the Structure of the Cysteine-Rich Domain of Metabotropic Glutamate Receptors.

Published in:

Doklady Biochemistry & Biophysics, 2004, v. 394, n. 1-6, p. 21, doi. 10.1023/B:DOBI.0000017146.95597.94

By:

Belenikin, M. S.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

The Study of the Mechanism of Binding of Human ML1A Melatonin Receptor Ligands Using Molecular Modeling.

Published in:

Doklady Biochemistry & Biophysics, 2004, v. 394, n. 1-6, p. 49, doi. 10.1023/B:DOBI.0000017154.54595.0e

By:

Ivanov, A. A.;
Voronkov, A. E.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the mGluR1 Metabotropic Glutamate Receptor Transmembrane Domain and Construction of the Model of Its Dimer.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 393, n. 1-6, p. 341, doi. 10.1023/B:DOBI.0000010299.35247.fb

By:

Belenikin, M. S.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Molecular Dynamic Simulation of the Ligand–Receptor Complexes of the Aminoterminal Domain of the Metabotropic Glutamate Receptor mGluR1.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 389, n. 1-6, p. 98, doi. 10.1023/A:1023684122445

By:

Belenikin, M. S.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the Ligand-Binding Domains of the NR3A and NR3B Subunits of the NMDA Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 389, n. 1-6, p. 83, doi. 10.1023/A:1023627904698

By:

Belenikin, M. S.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the Human A2a Adenosine Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 389, n. 1-6, p. 94, doi. 10.1023/A:1023632005607

By:

Ivanov, A. A.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

A Quantitative Model of Ligand Binding to the Glutamate Site of the GluR2 Subunit of AMPA Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 389, n. 1-6, p. 75, doi. 10.1023/A:1023623803790

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the Closed Forms of the Kainate-Binding Domains of Kainate Receptors and Qualitative Analysis of the Structure–Activity Relationships for Some Agonists.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 386, n. 1-6, p. 239, doi. 10.1023/A:1020799209272

By:

Belenikin, M. S.;
Baskin, I. I.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Comparative Analysis of the Ligand-Binding Sites of the Metabotropic Glutamate Receptors mGluR1–mGluR8.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 386, n. 1-6, p. 251, doi. 10.1023/A:1020755427019

By:

Belenikin, M. S.;
Baskin, I. I.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling the Human A1 Adenosine Receptor and Study of the Mechanisms of Its Selective Ligand Binding.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 386, n. 1-6, p. 271, doi. 10.1023/A:1020715812906

By:

Ivanov, A. A.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

A New Binding Mode of Competitive Antagonists to Metabotropic Glutamate Receptors Exemplified by the mGluR1-Receptor Antagonist AIDA (RS-Aminoindan-1,5-Dicarboxylic Acid).

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 384, n. 1-6, p. 131, doi. 10.1023/A:1016076028063

By:

Belenikin, M. S.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Computer Simulation of the Three-Dimensional Structure of the Glutamate Site of the NR2B Subunit of the NMDA Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 382, n. 1-6, p. 38, doi. 10.1023/A:1014407323940

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

A Spatial Model of the Glycine Site of the NR1 Subunit of NMDA-Receptor and Ligand Docking.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 382, n. 1-6, p. 67, doi. 10.1023/A:1014423727574

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Molecular and Crystal Structures of (S,S)-[-o(α-Dimethylaminoethyl)phenyl]phenylarylcarbinols.

Published in:

Crystallography Reports, 2000, v. 45, n. 4, p. 604, doi. 10.1134/1.1306570

By:

Panov, V. N.;
Potekhin, K. A.;
Struchkov, Yu. T.;
Shishkina, I. N.;
Dem’yanovich, V. M.;
Zefirov, N. S.

Publication type:

Article

Synthesis, crystal and molecular structure of 3,7-ditosyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane.

Published in:

Doklady Chemistry, 2017, v. 477, n. 1, p. 239, doi. 10.1134/S0012500817110015

By:

Grishina, I.;
Makeev, D.;
Rybakov, V.;
Lapteva, V.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Quadrupole correction for halogen bonding description in virtual screening and molecular docking.

Published in:

Doklady Chemistry, 2016, v. 471, n. 1, p. 338, doi. 10.1134/S0012500816110100

By:

Titov, O.;
Shulga, D.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

New phosphonate-substituted tricarbocyanines and their interaction with bovine serum albumin.

Published in:

Doklady Chemistry, 2016, v. 470, n. 1, p. 264, doi. 10.1134/S001250081609007X

By:

Kuzmin, V.;
Podrugina, T.;
Nekipelova, T.;
Doroshenko, I.;
Proskurnina, M.;
Golovina, G.;
Radchenko, E.;
Kostyukov, A.;
Temnov, V.;
Matveeva, E.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Preparative successive generation of dehydrobenzene intermediate from 2,5-Bis(trimethylsilyl)-1,4-phenylene bis(trifluoromethanesulfonate) and its cycloaddition reactions.

Published in:

Doklady Chemistry, 2016, v. 466, n. 2, p. 41, doi. 10.1134/S0012500816020063

By:

Seliverstov, M.;
Afanas'ev, O.;
Sosonyuk, S.;
Temnov, V.;
Proskurnina, M.;
Zefirov, N.

Publication type:

Article

Synthesis of 1,3,5-tribromo- and triiodophloroglucinol tris(triflates).

Published in:

Doklady Chemistry, 2016, v. 466, n. 1, p. 1, doi. 10.1134/S001250081601002X

By:

Seliverstov, M.;
Afanas'ev, O.;
Sosonyuk, S.;
Proskurnina, M.;
Zefirov, N.

Publication type:

Article

Generalized fragmental approach in QSAR/QSPR studies.

Published in:

Doklady Chemistry, 2015, v. 463, n. 1, p. 185, doi. 10.1134/S0012500815070071

By:

Sosnin, S.;
Radchenko, E.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Synthesis of cyclopropylphosphonates on the basis of catalytic [1+2] cycloaddition of diazomethylphosphonic esters to alkenes.

Published in:

Doklady Chemistry, 2013, v. 450, n. 2, p. 156, doi. 10.1134/S0012500813060037

By:

Yashin, N.;
Chemagin, A.;
Grishin, Yu.;
Kuznetsova, T.;
Zefirov, N.

Publication type:

Article

Description of halogen bonding on the basis of multicenter multipole expansion.

Published in:

Doklady Chemistry, 2013, v. 450, n. 1, p. 139, doi. 10.1134/S0012500813050042

By:

Titov, O.;
Shulga, D.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Intramolecular strain and conformational energy of some symmetric heteroanalogues of bicyclo[3.3.1]nonane.

Published in:

Doklady Chemistry, 2013, v. 450, n. 1, p. 131, doi. 10.1134/S0012500813050078

By:

Pisarev, S.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Novel amphiphilic compounds for the design of stimulus-sensitive liposomal containers.

Published in:

Doklady Chemistry, 2012, v. 447, n. 2, p. 275, doi. 10.1134/S0012500812120051

By:

Veremeeva, P.;
Lapteva, V.;
Palyulin, V.;
Davydov, D.;
Yaroslavov, A.;
Zefirov, N.

Publication type:

Article

Mechanism and remarkable features of photoinduced cycloaddition of phenylacetylene to mixed phosphonium-iodonium ylide.

Published in:

Doklady Chemistry, 2012, v. 447, n. 1, p. 262, doi. 10.1134/S0012500812110092

By:

Nekipelova, T.;
Taranova, M.;
Matveeva, E.;
Podrugina, T.;
Kuzmin, V.;
Zefirov, N.

Publication type:

Article

Palladium-catalyzed reactions of halogen derivatives of N, N-dimethyl-1-phenylethanamine with arylboronic acids as a novel approach to the synthesis of biaryls with central and axial chirality.

Published in:

Doklady Chemistry, 2012, v. 445, n. 2, p. 166, doi. 10.1134/S0012500812080083

By:

Shishkina, I.;
Dotsenko, I.;
Demyanovich, V.;
Bumagin, N.;
Zefirov, N.

Publication type:

Article

Computer-aided design of arylphthalazines as potential smoothened receptor antagonists.

Published in:

Doklady Chemistry, 2012, v. 443, n. 2, p. 97, doi. 10.1134/S0012500812040027

By:

Radchenko, E.;
Koshelev, S.;
Tsareva, D.;
Voronkov, A.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Polytopic zinc dipicolylamine complex containing a ferrocene moiety as a new lipoxygenase LOX I-B inhibitor.

Published in:

Doklady Chemistry, 2012, v. 443, n. 1, p. 77, doi. 10.1134/S0012500812030032

By:

Milaeva, E.;
Meleshonkova, N.;
Shpakovsky, D.;
Paulavets, V.;
Orlova, S.;
Osolodkin, D.;
Palyulin, V.;
Loginov, S.;
Storozhenko, P.;
Zefirov, N.

Publication type:

Article

Prediction of the preferable mechanism of nucleophilic substitution at saturated carbon atom and prognosis of S1 rate constants by means of QSPR.

Published in:

Doklady Chemistry, 2011, v. 441, n. 1, p. 314, doi. 10.1134/S0012500811110048

By:

Kravtsov, A.;
Karpov, P.;
Baskin, I.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Prediction of rate constants of S2 reactions by the multicomponent QSPR method.

Published in:

Doklady Chemistry, 2011, v. 440, n. 2, p. 299, doi. 10.1134/S0012500811100107

By:

Kravtsov, A.;
Karpov, P.;
Baskin, I.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Method of continuous molecular fields in the one-class classification task.

Published in:

Doklady Chemistry, 2011, v. 440, n. 2, p. 263, doi. 10.1134/S0012500811100016

By:

Karpov, P.;
Baskin, I.;
Zhokhova, N.;
Zefirov, N.

Publication type:

Article

Virtual screening based on one-class classification.

Published in:

Doklady Chemistry, 2011, v. 437, n. 2, p. 107, doi. 10.1134/S0012500811040082

By:

Karpov, P.;
Baskin, I.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Synthesis and structure of (1S)-{2-[(1 S)-hydroxyethyl]phenyl}-1-phenyl-2,2,2-trifluoroethanol.

Published in:

Doklady Chemistry, 2010, v. 435, n. 2, p. 314, doi. 10.1134/S0012500810120025

By:

Shishkina, I.;
Sokolovskaya, E.;
Nelyubina, Yu.;
Lysenko, K.;
Dem'yanovich, V.;
Zefirov, N.

Publication type:

Article

Pseudofragmental descriptors based on combinations of atomic properties for prediction of physical properties of polymers in quantitative structure—property relationship studies.

Published in:

Doklady Chemistry, 2010, v. 430, n. 2, p. 39, doi. 10.1134/S0012500810020023

By:

Zhokhova, N.;
Baskin, I.;
Zefirov, A.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Neural network modeling of substituent constants on the basis of fragmental descriptors.

Published in:

Doklady Chemistry, 2010, v. 431, n. 1, p. 85, doi. 10.1134/S0012500810030067

By:

Kurilo, M. N.;
Karpov, P. V.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Combinatorial models and algorithms in chemistry. The expanded Wiener number-a novel topological index.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 8, p. 899, doi. 10.1002/jcc.540110802

By:

Tratch, S. S.;
Stankevitch, M. I.;
Zefirov, N. S.

Publication type:

Article

Combinatorial models and algorithms in chemistry. Search for isomorphisms and automorphisms of molecular graphs.

Published in:

Journal of Computational Chemistry, 1988, v. 9, n. 4, p. 303, doi. 10.1002/jcc.540090405

By:

Stankevitch, M. I.;
Tratch, S. S.;
Zefirov, N. S.

Publication type:

Article

Spectral and kinetic parameters of photoexcited complexes of albumin and indotricarbocyanine dye with phosphonate substituents.

Published in:

High Energy Chemistry, 2016, v. 50, n. 4, p. 315, doi. 10.1134/S0018143916040093

By:

Kuzmin, V.;
Golovina, G.;
Kostyukov, A.;
Nekipelova, T.;
Podrugina, T.;
Kriveleva, A.;
Matveeva, E.;
Proskurnina, M.;
Zefirov, N.

Publication type:

Article

Energy degradation in photoexcited complexes of indocarbocyanine with albumin.

Published in:

High Energy Chemistry, 2015, v. 49, n. 3, p. 211, doi. 10.1134/S0018143915030108

By:

Kuzmin, V.;
Durandin, N.;
Lisitsyna, E.;
Litvinkova, L.;
Nekipelova, T.;
Podrugina, T.;
Matveeva, E.;
Proskurnina, M.;
Zefirov, N.

Publication type:

Article

Stereochemical studies. XXXIV.

Published in:

Journal of Physical Organic Chemistry, 1990, v. 3, n. 3, p. 147, doi. 10.1002/poc.610030304

By:

Zefirov, N. S.;
Palyulin, V. A.;
Dashevskaya, E. E.

Publication type:

Article

Virtual screening workflow for glycogen synthase kinase 3β inhibitors: convergence of ligand-based and structure-based approaches.

Published in:

2011

By:

Palyulin, V. A.;
Osolodkin, D. I.;
Zefirov, N. S.

Publication type:

Abstract

Ionotropic GABA receptors: modelling and design of selective ligands.

Published in:

2010

By:

Palyulin, Vladimir A.;
Radchenko, E. V.;
Osolodkin, D. E.;
Chupakhin, V. I.;
Zefirov, N. S.

Publication type:

Abstract

Computer-aided estimation of the hERG-mediated cardiotoxicity risk of potential drug components.

Published in:

Doklady Biochemistry & Biophysics, 2017, v. 473, n. 1, p. 128, doi. 10.1134/S1607672917020107

By:

Radchenko, E.;
Rulev, Yu.;
Safanyaev, A.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

Molecular design of proneurogenic and neuroprotective compounds-allosteric NMDA receptor modulators.

Published in:

Doklady Biochemistry & Biophysics, 2017, v. 473, n. 1, p. 132, doi. 10.1134/S1607672917020119

By:

Karlov, D.;
Radchenko, E.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article