A. Nemukhin

发表

MATRIX ISOLATION AND AB INITIO STUDY OF THE REACTIONS OF MAGNESIUM ATOMS AND CLUSTERS WITH CO2, C2H4, AND CO2/C2H4 MIXTURES : FORMATION OF CYCLIC COMP LEXES

V. N. Solov'ev, G. Sergeev, E. V. Polikarpov, 1999 .

Modeling reaction routes from rhodopsin to bathorhodopsin

A. Nemukhin, M. Khrenova, A. Bochenkova, 2010, Proteins.

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

A. Nemukhin, M. Khrenova, V. Mironov, 2014, Moscow University Chemistry Bulletin.

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

A. Rusanov, F. Gostev, O. Sarkisov, 2011 .

Molecular Dynamics of Enzyme-Substrate Complexes in Guanosine Trifosphate-Binding Proteins

I. Polyakov, M. Khrenova, A. Nemukhin, 2022, Russian Journal of Physical Chemistry B.

Influence of the leaving group on the mechanism of hydrolysis of organophosphorus compounds by phosphotriesterase from bacterium Pseudomonas diminuta

M. Khrenova, A. M. Kulakova, A. V. Nemukhin, 2022, Russian Chemical Bulletin.

Computer modeling of components of photoreceptor systems

I. Polyakov, B. Grigorenko, M. G. Khrenova, 2014, Russian Chemical Bulletin.

Computational strategy for tuning spectral properties of red fluorescent proteins.

J. Collins, A. Nemukhin, A. Savitsky, 2011, Biophysical chemistry.

Modeling of the structure and electronic spectra of green fluorescent protein chromophore

Alexander V. Nemukhin, Anastasia V. Bochenkova, Ksenia B. Bravaya, 2008 .

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

B. Grigorenko, A. Nemukhin, A. Nemukhin, 2020, Russian Journal of Physical Chemistry A.

Supercomputer technologies for structural-kinetic study of mechanisms of enzyme catalysis: A quantum-chemical description of aspartoacylase catalysis

S. Varfolomeev, S. V. Lushchekina, E. Kots, 2017, Doklady Physical Chemistry.

The structure of the enzyme-substrate complex of the phosphodiesterase catalytic domain with cyclic diguanosine monophosphate

B. Grigorenko, M. G. Khrenova, A. Nemukhin, 2014, Moscow University Chemistry Bulletin.

Database of Intermediates of Enzyme-Catalyzed Chemical Reactions ENIAD

M. G. Khrenova, T. I. Mulashkina, A. Nemukhin, 2023, Russian Journal of Physical Chemistry A.

Energy profiles of the catalytic cycle of enzymatic reactions and factors determining enzymatic catalysis efficiency

B. Grigorenko, S. Varfolomeev, M. G. Khrenova, 2023, Russian Chemical Bulletin.

COMPUTER MODELING OF THE MECHANISMS OF ENZYMATIC REACTIONS: LESSONS FROM 20 YEARS OF PRACTICE

M. Khrenova, T. I. Mulashkina, A. Nemukhin, 2024, Lomonosov chemistry journal.

Comparison of the Mechanisms of Hydrolysis of Organophosphates with Good and Poor Leaving Group by Phosphotriesterase from Pseudomonas diminuta

M. Khrenova, T. I. Mulashkina, A. Nemukhin, 2024, Russian Journal of Physical Chemistry A.