Alexei A Kananenka
Overview
Explore the profile of Alexei A Kananenka including associated specialties, affiliations and a list of published articles.
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Articles
27
Citations
66
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Recent Articles
1.
Rodriguez L, Kananenka A
Phys Rev E
. 2025 Feb;
111(1-1):014143.
PMID: 39972793
In this article, we perform a systematic study of the global entanglement and exciton coherence length dynamics in natural light-harvesting system Fenna-Matthews-Olson (FMO) complex across various parameters of a dissipative...
2.
Rodriguez L, Kananenka A
J Chem Phys
. 2024 Nov;
161(17).
PMID: 39484891
In this Communication, we demonstrate that a deep artificial neural network based on a transformer architecture with self-attention layers can predict the long-time population dynamics of a quantum system coupled...
3.
Dereka B, Maroli N, Poronik Y, Gryko D, Kananenka A
Chem Sci
. 2024 Sep;
PMID: 39220161
Microscopic electric fields are increasingly found to play a pivotal role in catalysis of enzymatic and chemical reactions. Currently, the vibrational Stark effect is the main experimental method used to...
4.
Rodriguez L, Sindhu A, Rueda Espinosa K, Kananenka A
J Chem Theory Comput
. 2024 Aug;
20(17):7393-7403.
PMID: 39190922
Strong light-matter interaction leads to the formation of hybrid polariton states and can alter the light-harvesting properties of natural photosynthetic systems without modifying their chemical structure. In the present study,...
5.
Maroli N, Ryan M, Zanni M, Kananenka A
J Struct Biol X
. 2024 Aug;
10:100108.
PMID: 39157159
Molecular dynamics simulations revealed that the carbonyls of the Val residue in the conserved selectivity filter sequence TVGTG of potassium ion channels can flip away from the pore to form...
6.
Ryan M, Gao L, Valiyaveetil F, Kananenka A, Zanni M
J Am Chem Soc
. 2024 Jan;
146(2):1543-1553.
PMID: 38181505
Water inside biological ion channels regulates the key properties of these proteins, such as selectivity, ion conductance, and gating. In this article, we measure the picosecond spectral diffusion of amide...
7.
Rueda Espinosa K, Kananenka A, Rusakov A
J Chem Theory Comput
. 2023 Nov;
19(22):7998-8012.
PMID: 38014419
Using the example of astatine, the heaviest naturally occurring halogen whose isotope At-211 has promising medical applications, we propose a new infrastructure for large-scale computational models of heavy elements with...
8.
Ryan M, Gao L, Valiyaveetil F, Kananenka A, Zanni M
bioRxiv
. 2023 Nov;
PMID: 38014355
Water inside biological ion channels regulates the key properties of these proteins such as selectivity, ion conductance, and gating. In this Article we measure the picosecond spectral diffusion of amide...
9.
Ryan M, Gao L, Valiyaveetil F, Zanni M, Kananenka A
J Am Chem Soc
. 2023 Aug;
145(33):18529-18537.
PMID: 37578394
The potassium ion (K) configurations of the selectivity filter of the KcsA ion channel protein are investigated with two-dimensional infrared (2D IR) spectroscopy of amide I vibrations. Single C-O isotope...
10.
Pastorczak M, Duk K, Shahab S, Kananenka A
J Phys Chem B
. 2023 May;
127(21):4843-4857.
PMID: 37201478
Overtones and combinational modes frequently play essential roles in ultrafast vibrational energy relaxation in liquid water. However, these modes are very weak and often overlap with fundamental modes, particularly in...