E-LIB Suche - Ergebnisse für: Bučinský, Lukas

1

Compromise in Docking Power of Liganded Crystal Structures ..:

Zajaček, Dávid ; Dunárová, Adriána ; Bucinsky, Lukas.
Journal of Chemical Information and Modeling. 64 (2024) 5 - p. 1628-1643 , 2024

Link: https://doi.org/10.1021/..

2

Exploring hydrogen binding and activation on transition met..:

Müllerová, Simona ; Malček, Michal ; Bucinsky, Lukas.
Carbon Letters. 34 (2024) 5 - p. 1495-1506 , 2024

Link: https://doi.org/10.1007/..

3

Chemical and Redox Noninnocence of Pentane-2,4-dione Bis(S-..:

Porte, Vincent ; Milunovic, Miljan N. M. ; Knof, Ulrich...
JACS Au. 4 (2024) 3 - p. 1166-1183 , 2024

Link: https://doi.org/10.1021/..

4

Isomerization pathway of a C–C sigma bond in a bis(octaazam..:

Jelemenska, Ingrid ; Zalibera, Michal ; Rapta, Peter...
Theoretical Chemistry Accounts. 143 (2024) 4 - p. , 2024

Link: https://doi.org/10.1007/..

5

SchNetPack Hyperparameter Optimization for a More Reliable ..:

Matúška, Ján ; Bucinsky, Lukas ; Gall, Marián..
The Journal of Physical Chemistry B. 128 (2024) 20 - p. 4943-4951 , 2024

Link: https://doi.org/10.1021/..

6

Effect of surface curvature on the hydrogen storage capacit..:

Malček, Michal ; Sredojević, Dušan N. ; Tkáč, Ondrej.
Diamond and Related Materials. 139 (2023) - p. 110335 , 2023

Link: https://doi.org/10.1016/..

7

Theoretical study of Fe-based biomimetic complexes interact..:

Hlinčík, Andrej ; Malček, Michal ; Bucinsky, Lukas
Chemical Physics Impact. 7 (2023) - p. 100299 , 2023

Link: https://doi.org/10.1016/..

8

Advances and critical assessment of machine learning techni..:

Bucinsky, Lukas ; Gall, Marián ; Matúška, Ján..
International Journal of Quantum Chemistry. 123 (2023) 24 - p. , 2023

Link: https://doi.org/10.1002/..

9

Diastereomeric dinickel(ii) complexes with non-innocent bis..:

Dobrov, Anatolie ; Darvasiová, Denisa ; Zalibera, Michal...
Dalton Transactions. 51 (2022) 13 - p. 5151-5167 , 2022

Link: https://doi.org/10.1039/..

10

Molecular docking and machine learning affinity prediction ..:

Jablonský, Michal ; Štekláč, Marek ; Majová, Veronika...
Biophysical Chemistry. 288 (2022) - p. 106854 , 2022

Link: https://doi.org/10.1016/..

11

Theoretical study of hydrogen adsorption on the graphene qu..:

Malček, Michal ; Müllerová, Simona ; Bučinský, Lukáš
Physica E: Low-dimensional Systems and Nanostructures. 139 (2022) - p. 115144 , 2022

Link: https://doi.org/10.1016/..

12

Machine learning prediction of 3CLSARS-CoV-2 docking scores:

Bucinsky, Lukas ; Bortňák, Dušan ; Gall, Marián...
Computational Biology and Chemistry. 98 (2022) - p. 107656 , 2022

Link: https://doi.org/10.1016/..

13

Tailoring the hydrogen storage performance of the Cr-, Mn-,..:

Malček, Michal ; Čermáková, Kristína ; Rapta, Peter..
International Journal of Hydrogen Energy. 47 (2022) 81 - p. 34570-34582 , 2022

Link: https://doi.org/10.1016/..

14

The Ruthenium Nitrosyl Moiety in Clusters: Trinuclear Linea..:

Stepanenko, Iryna ; Mizetskyi, Pavlo ; Orlowska, Ewelina...
Inorganic Chemistry. 61 (2021) 2 - p. 950-967 , 2021

Link: https://doi.org/10.1021/..

15

Ni Oxidation State and Ligand Saturation Impact on the Capa..:

Vénosová, Barbora ; Jelemenská, Ingrid ; Kožíšek, Jozef...
Molecules. 26 (2021) 14 - p. 4139 , 2021

Link: https://doi.org/10.3390/..