Lukas Bucinsky
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Explore the profile of Lukas Bucinsky including associated specialties, affiliations and a list of published articles.
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40
Citations
146
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Recent Articles
1.
Hlincik A, Bucinsky L, Breza M, Kozisek J
Acta Crystallogr B Struct Sci Cryst Eng Mater
. 2025 Feb;
PMID: 40009613
To study the experimental electronic structure, the exact position of the nonhydrogen atoms in the starting geometry is necessary. In this paper, we compare the results of the experimental electronic...
2.
Fronc M, Breza M, Bucinsky L, Jelemenska I, Kozisek J
IUCrJ
. 2025 Jan;
12(Pt 2):198-207.
PMID: 39882675
The experimental electron density distributions in two coordination compounds - one with a central Cu(I) atom and the other with Cu(II), coordinated by the same biphenyldiimino dithioether (bite) type of...
3.
Matuska J, Bucinsky L, Gall M, Pitonak M, Steklac M
J Phys Chem B
. 2024 May;
128(20):4943-4951.
PMID: 38733335
Options to improve the extrapolation power of the neural network designed using the SchNetPack package with respect to top docking scores prediction are presented. It is shown that hyperparameter tuning...
4.
Porte V, Milunovic M, Knof U, Leischner T, Danzl T, Kaiser D, et al.
JACS Au
. 2024 Apr;
4(3):1166-1183.
PMID: 38559722
Cobalt complexes with multiproton- and multielectron-responsive ligands are of interest for challenging catalytic transformations. The chemical and redox noninnocence of pentane-2,4-dione bis(-methylisothiosemicarbazone) (PBIT) in a series of cobalt complexes has...
5.
Jelemenska I, Zalibera M, Rapta P, Dobrov A, Arion V, Bucinsky L
Theor Chem Acc
. 2024 Mar;
143(4):26.
PMID: 38495857
Supplementary Information: The online version contains supplementary material available at 10.1007/s00214-024-03100-5.
6.
Zajacek D, Dunarova A, Bucinsky L, Steklac M
J Chem Inf Model
. 2024 Feb;
64(5):1628-1643.
PMID: 38408033
Herein, we present the capacity of three different molecular docking programs (AutoDock, AutoDock Vina, and PLANTS) to identify and reproduce the binding modes of ligands present in 247 covalent and...
7.
Jablonsky M, Steklac M, Majova V, Gall M, Matuska J, Pitonak M, et al.
Biophys Chem
. 2022 Jul;
288:106854.
PMID: 35810518
Molecular docking of 234 unique compounds identified in the softwood bark (W set) is presented with a focus on their inhibition potential to the main protease of the SARS-CoV-2 virus...
8.
Bucinsky L, Bortnak D, Gall M, Matuska J, Milata V, Pitonak M, et al.
Comput Biol Chem
. 2022 Mar;
98:107656.
PMID: 35288359
Molecular docking results of two training sets containing 866 and 8,696 compounds were used to train three different machine learning (ML) approaches. Neural network approaches according to Keras and TensorFlow...
9.
Dobrov A, Darvasiova D, Zalibera M, Bucinsky L, Jelemenska I, Rapta P, et al.
Dalton Trans
. 2022 Mar;
51(13):5151-5167.
PMID: 35266945
Diastereomeric dinickel(II) complexes with bis-octaazamacrocyclic 15-membered ligands [Ni(L1-3-L1-3)Ni] (4-6) have been prepared by oxidative dehydrogenation of nickel(II) complexes NiL1-3 (1-3) derived from 1,2- and 1,3-diketones and -methylisothiocarbohydrazide. The compounds were...
10.
Stepanenko I, Mizetskyi P, Orlowska E, Bucinsky L, Zalibera M, Venosova B, et al.
Inorg Chem
. 2021 Dec;
61(2):950-967.
PMID: 34962391
The ruthenium nitrosyl moiety, {RuNO}, is important as a potential releasing agent of nitric oxide and is of inherent interest in coordination chemistry. Typically, {RuNO} is found in mononuclear complexes....