A. Nemukhin: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

Improving the Design of the Triple-Decker Motif in Red Fluorescent Proteins

Khrenova, Maria G., Polyakov, Igor V., Grigorenko, Bella L, Krylov, Anna I., Nemukhin, Alexander V.

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 2.15 MB

english, 2017

2

The origin of radiationless conversion of the excited state in the kindling fluorescent protein (KFP): femtosecond studies and quantum modeling

I. Shelaev, V. Mironov, A. Rusanov, F. Gostev, A. Bochenkova, O. Sarkisov, A. Nemukhin, A. Savitsky

Journal:

Laser Physics Letters

Year:

2011

Language:

english

File:

PDF, 209 KB

english, 2011

3

Evaluation of the Q y absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum

Polyakov, I. V., Khrenova, M. G., Moskovskii, A. A., Telegin, P. N., Zhang, J.-P., Nemukhin, A. V.

Journal:

Moscow University Chemistry Bulletin

Year:

2017

Language:

english

File:

PDF, 467 KB

english, 2017

4

Rigid-Body Molecular Dynamics of Fullerene-Based Nanocars on Metallic Surfaces

Konyukhov, Sergei S., Kupchenko, Ilya V., Moskovsky, Alexander A., Nemukhin, Alexander V., Akimov, Alexey V., Kolomeisky, Anatoly B.

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 345 KB

english, 2010

5

Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes

Nemukhin, Alexander V., Grigorenko, Bella L, Khrenova, Maria G., Krylov, Anna I.

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 3.02 MB

english, 2019

6

COMPUTER MODELING OF THE STRUCTURE AND SPECTRA OF FLUORESCENT PROTEINS

NEMUKHIN A.V.,GRIGORENKO B.L.,SAVITSKY A.P.

Journal:

Acta Naturae (англоязычная версия)

Year:

2009

Language:

english

File:

PDF, 601 KB

english, 2009

7

Diffusion of fullerene-based nanocars on the surface of a gold crystal

S. S. Konyukhov, N. N. Artemov, I. A. Kaliman, I. V. Kupchenko, A. V. Nemukhin, A. A. Moskovskii

Journal:

Moscow University Chemistry Bulletin

Year:

2010

Language:

english

File:

PDF, 171 KB

english, 2010

8

Effect of argon atoms on charge distributions in small lithium clusters

Grigorenko, B. L., Nemukhin, A. V., Sergeev, G. B., Stepanyuk, V. S., Szasz, A.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 542 KB

english, 1994

9

On the nature of oxoiron (IV) intermediate in dioxygen activation by non-heme enzymes

Alexander V. Nemukhin, Igor A. Topol, Raul E. Cachau, Stanley K. Burt

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2006

Language:

english

File:

PDF, 214 KB

english, 2006

10

Potential curves for BLi and BLi+

A.V. Nemukhin, J. Almlöf, A. Heiberg

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 203 KB

english, 1980

11

Computational characterization of the all-atom structure and the calcium binding sites of the LH1–RC core complex from Thermochromatium tepidum

Khrenova, M. G., Grigorenko, B. L., Zhang, J.-P., Wang, P., Nemukhin, A. V.

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 370 KB

english, 2016

12

A new universal Web interface to quantum chemistry programs

Alexander A. Moskovsky, Vitaly V. Vanovsky, Alexander A. Granovsky, Denis A. Firsov, Alexander V. Nemukhin

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 177 KB

english, 2004

13

Toward Molecular-Level Characterization of Photoinduced Decarboxylation of the Green Fluorescent Protein: Accessibility of the Charge-Transfer States

Grigorenko, Bella L., Nemukhin, Alexander V., Morozov, Dmitry I., Polyakov, Igor V., Bravaya, Ksenia B., Krylov, Anna I.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.22 MB

english, 2012

14

Toward Molecular Mechanism of Xenon Anesthesia: A Link to Studies of Xenon Complexes with Small Aromatic Molecules

Andrijchenko, Natalya N., Ermilov, Alexander Yu., Khriachtchev, Leonid, Räsänen, Markku, Nemukhin, Alexander V.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.38 MB

english, 2015

15

Molecular Dynamics of Surface-Moving Thermally Driven Nanocars

Akimov, Alexei V., Nemukhin, Alexander V., Moskovsky, Alexander A., Kolomeisky, Anatoly B., Tour, James M.

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 944 KB

english, 2008

16

On the Mechanism of Carborane Diffusion on a Hydrated Silica Surface

Kupchenko, Ilya V., Moskovsky, Alexander A., Nemukhin, Alexander V., Kolomeisky, Anatoly B.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 191 KB

english, 2011

17

Aspartoacylase: a central nervous system enzyme. Structure, catalytic activity and regulation mechanisms

Kots, E D, Khrenova, M G, Nemukhin, A V, Varfolomeev, S D

Journal:

Russian Chemical Reviews

Year:

2019

Language:

english

File:

PDF, 3.91 MB

english, 2019

18

Computer simulation in molecular medicine and drug design

Varfolomeev, S. D., Lushchekina, S. V., Nemukhin, A. V.

Journal:

Herald of the Russian Academy of Sciences

Year:

2016

Language:

english

File:

PDF, 1.37 MB

english, 2016

19

Fragment-localized analysis of the multiconfigurational wavefunctions

A.A. Buchachenko, A.V. Nemukhin, N.F. Stepanov

Journal:

Chemical Physics

Year:

1990

Language:

english

File:

PDF, 493 KB

english, 1990

20

Hybrid DIM-based QM/MM approach applied to vibrational spectra and trapping site structures of HArF in solid argon

A.V. Bochenkova, D.A. Firsov, A.V. Nemukhin

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 205 KB

english, 2005

21

Computational study of a transition state analog of phosphoryl transfer in the Ras–RasGAP complex: AlFxversus MgF3–

Bella L. Grigorenko, Alexander V. Nemukhin, Raul E. Cachau, Igor A. Topol, Stanley K. Burt

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 379 KB

english, 2005

22

The nature of biomimetically relevant rate enhancement of hydrolysis in a coordination sphere of square-planar metal complexes suggested by an X-ray structural study of a,b-h,g-[Pt{o-C6H4C(Me)NOC(O)Me}(μ-Cl)]2

Gregory M. Kazankov, Oleg G. Dyachenko, Alexander V. Nemukhin, Alexander D. Ryabov

Journal:

Mendeleev Communications

Year:

1997

Language:

english

File:

PDF, 997 KB

english, 1997

23

Optimization of molecular orbitals in calculations of excited states by CI and MC SCF methods

A. V. Nemukhin, N. F. Stepanov

Journal:

Theoretical and Experimental Chemistry

Year:

1984

Language:

english

File:

PDF, 511 KB

english, 1984

24

Modeling Photoabsorption of the asFP595 Chromophore

Bravaya, Ksenia B., Bochenkova, Anastasia V., Granovsky, Alexander A., Savitsky, Alexander P., Nemukhin, Alexander V.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 420 KB

english, 2008

25

Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations

Grigorenko, Bella, Khriachtchev, Leonid, Nemukhin, Alexandr, Pettersson, Mika, Isoniemi, Esa, Räsänen, Markku

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 392 KB

english, 1999

26

Diatomics-in-ionic-systems and ab initio predictions for the stationary points on potential energy surfaces of the (HF)[sub n] clusters (n=3–6)

Grigorenko, Bella L., Moskovsky, Alexander A., Nemukhin, Alexander V.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 567 KB

english, 1999

27

Hydrogen bonding at the diatomics-in-molecules level: Water clusters

Grigorenko, Bella L., Nemukhin, Alexander V., Topol, Igor A., Burt, Stanley K.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 407 KB

english, 2000

28

The photoreaction mechanism in the bacterial blue light receptor BLUF according to metadynamics modeling

Khrenova, M. G., Nikiforov, A. A., Andrijchenko, N. N., Mironov, V. A., Nemukhin, A. V.

Journal:

Moscow University Chemistry Bulletin

Year:

2014

Language:

english

File:

PDF, 191 KB

english, 2014

29

Simulation of Spectra of Red Fluorescent Protein Mutants

Kulakova, A. M., Khrenova, M. G., Nemukhin, A. V.

Journal:

Moscow University Chemistry Bulletin

Year:

2018

Language:

english

File:

PDF, 470 KB

english, 2018

30

Predicting lanthanide cluster properties: a comparison with the observed optical spectra of Ho2

A.V. Nemukhin, A.Yu. Ermilov, M.A. Petrukhina, W.E. Klotzbücher, J. Smets

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1997

Language:

english

File:

PDF, 792 KB

english, 1997

31

Treatment of excited states in the CASSCF method: Application to BO

J. Almlöf, A. V. Nemukhin, A. Heiberg

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 587 KB

english, 1981

32

Modeling the mechanism of hydrolysis of cyclic guanosine monophosphates in aqueous solution

N. N. Andriichenko, M. G. Khrenova, A. V. Nemukhin, B. L. Grigorenko

Journal:

Moscow University Chemistry Bulletin

Year:

2011

Language:

english

File:

PDF, 387 KB

english, 2011

33

Analysis of proton wires in the enzyme active site suggests a mechanism of c-di-GMP hydrolysis by the EAL domain phosphodiesterases

Grigorenko, Bella L, Knyazeva, Marina A, Nemukhin, Alexander V

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2016

Language:

english

File:

PDF, 2.00 MB

english, 2016

34

Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?

Acharya, Atanu, Bogdanov, Alexey M., Grigorenko, Bella L., Bravaya, Ksenia B., Nemukhin, Alexander V., Lukyanov, Konstantin A., Krylov, Anna I.

Journal:

Chemical Reviews

Year:

2016

Language:

english

File:

PDF, 9.39 MB

english, 2016

35

Towards first-principles calculation of electronic excitations in the ring of the protein-bound bacteriochlorophylls

Polyakov, Igor V., Khrenova, Maria G., Moskovsky, Alexander A., Shabanov, Boris M., Nemukhin, Alexander V.

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.26 MB

english, 2018

36

Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins

Grigorenko, B. L., Nemukhin, A. V.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2020

File:

PDF, 562 KB

2020

37

Modeling reaction routes from rhodopsin to bathorhodopsin

M. G. Khrenova, A. V. Bochenkova, A. V. Nemukhin

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 262 KB

english, 2010

38

Implementation of the replica-exchange molecular dynamics method for rigid bodies

A. A. Moskovsky, V. V. Vanovschi, S. S. Konyukhov, A. V. Nemukhin

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 237 KB

english, 2006

39

Low-temperature biligand complexes of europium and samarium with mesogenic alkylcyanobiphenyls

A. V. Vlasov, T. I. Shabatina, S. V. Konyukhov, A. Yu. Ermilov, A. V. Nemukhin, G. B. Sergeev

Journal:

Journal of Structural Chemistry

Year:

2004

Language:

english

File:

PDF, 266 KB

english, 2004

40

Studies on the conformational state of the chromophore group (11-cis-retinal) in rhodopsin by computer molecular simulation methods

T. B. Feldman, Kh. T. Kholmurodov, M. A. Ostrovsky, M. G. Khrenova, A. V. Nemukhin

Journal:

Year:

2009

Language:

english

File:

PDF, 231 KB

english, 2009

41

On the potential-energy surface of the Mg + CO2 (C2v) system

Evgenii V. Polikarpov, Alexander A. Granovsky, Alexander V. Nemukhin

Journal:

Mendeleev Communications

Year:

2001

Language:

english

File:

PDF, 156 KB

english, 2001

42

Modeling Structures and Spectra of Fluorescent Proteins in the Coordinate-Locking Cluster Approach: Application to the Photoswitchable Protein AsFP595

Topol, I., Collins, J., Nemukhin, A.

Journal:

Computational Molecular Bioscience

Year:

2012

Language:

english

File:

PDF, 814 KB

english, 2012

43

DIM potential energy surfaces for excited states of H 3

Zaitsevskii, A.V., Nemukhin, A.V., Stepanov, N.F.

Journal:

Molecular Physics

Year:

1980

Language:

english

File:

PDF, 318 KB

english, 1980

44

Modeling reactivation of the phosphorylated human butyrylcholinesterase by QM(DFTB)/MM calculations

Kulakova, Anna, Lushchekina, Sofya, Grigorenko, Bella, Nemukhin, Alexander

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

45

Competition between two cysteines in covalent binding of biliverdin to phytochrome domains

Khrenova, Maria G., Kulakova, Anna M., Nemukhin, Alexander V.

Journal:

Organic & Biomolecular Chemistry

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

46

Modelling trapping sites of (HF)2 in argon clusters

B.L. Grigorenko, A.V. Nemukhin

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 403 KB

english, 1997

47

Formation of mixed d- and f-block metal clusters in inert matrices: comparison of the observed and theoretical optical spectra of AgHo

W.E. Klotzbücher, M.A. Petrukhina, A.V. Nemukhin, A.Yu. Ermilov, B.L. Grigorenko

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2001

Language:

english

File:

PDF, 136 KB

english, 2001

48

A study of the potential surface of LiOB by the method of diatomic fragments in molecules

A. V. Nemukhin, S. V. Lyudkovskii, N. F. Stepanov

Journal:

Journal of Structural Chemistry

Year:

1983

Language:

english

File:

PDF, 400 KB

english, 1983

49

Low-temperature complexes of europium atoms and dimers with cyanophenylpyridines and alkylcyanophenylpyridines

T. I. Shabatina, A. V. Vlasov, A. Yu. Ermilov, S. V. Konyukhov, S. V. Nemukhin, G. B. Sergeev

Journal:

Journal of Structural Chemistry

Year:

2007

Language:

english

File:

PDF, 493 KB

english, 2007

50

Quantum chemical justification of the specificity of enzyme catalysis: Correlations between the rate of enzyme catalysis by acetylcholinesterase and substrate structure

S. V. Lushchekina, A. V. Nemukhin, D. I. Morozov, S. D. Varfolomeev

Journal:

Doklady Physical Chemistry

Year:

2009

Language:

english

File:

PDF, 158 KB

english, 2009

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски