Bondar AN - Search Results

1

Opioid Receptors and Protonation-Coupled Binding of Opioid Drugs.

Lešnik S, Bertalan É, Bren U, Bondar AN. Lešnik S, et al. Among authors: bondar an. Int J Mol Sci. 2021 Dec 12;22(24):13353. doi: 10.3390/ijms222413353. Int J Mol Sci. 2021. PMID: 34948150 Free PMC article. Review.

2

Potential Energy Function for Fentanyl-Based Opioid Pain Killers.

Lešnik S, Hodošček M, Bren U, Stein C, Bondar AN. Lešnik S, et al. Among authors: bondar an. J Chem Inf Model. 2020 Jul 27;60(7):3566-3576. doi: 10.1021/acs.jcim.0c00185. Epub 2020 Jun 19. J Chem Inf Model. 2020. PMID: 32491854

3

A graph-based approach identifies dynamic H-bond communication networks in spike protein S of SARS-CoV-2.

Karathanou K, Lazaratos M, Bertalan É, Siemers M, Buzar K, Schertler GFX, Del Val C, Bondar AN. Karathanou K, et al. Among authors: bondar an. J Struct Biol. 2020 Nov 1;212(2):107617. doi: 10.1016/j.jsb.2020.107617. Epub 2020 Sep 10. J Struct Biol. 2020. PMID: 32919067 Free PMC article.

4

Protein-water hydrogen-bond networks of G protein-coupled receptors: Graph-based analyses of static structures and molecular dynamics.

Bertalan É, Lešnik S, Bren U, Bondar AN. Bertalan É, et al. Among authors: bondar an. J Struct Biol. 2020 Dec 1;212(3):107634. doi: 10.1016/j.jsb.2020.107634. Epub 2020 Sep 29. J Struct Biol. 2020. PMID: 33007367 Free article.

5

CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs.

Giannos T, Lešnik S, Bren U, Hodošček M, Domratcheva T, Bondar AN. Giannos T, et al. Among authors: bondar an. J Chem Inf Model. 2021 Aug 23;61(8):3964-3977. doi: 10.1021/acs.jcim.1c00667. Epub 2021 Aug 5. J Chem Inf Model. 2021. PMID: 34351148

6

C-Graphs Tool with Graphical User Interface to Dissect Conserved Hydrogen-Bond Networks: Applications to Visual Rhodopsins.

Bertalan É, Lesca E, Schertler GFX, Bondar AN. Bertalan É, et al. Among authors: bondar an. J Chem Inf Model. 2021 Nov 22;61(11):5692-5707. doi: 10.1021/acs.jcim.1c00827. Epub 2021 Oct 20. J Chem Inf Model. 2021. PMID: 34670076

7

Fentanyl and the Fluorinated Fentanyl Derivative NFEPP Elicit Distinct Hydrogen-Bond Dynamics of the Opioid Receptor.

Lešnik S, Bren U, Domratcheva T, Bondar AN. Lešnik S, et al. Among authors: bondar an. J Chem Inf Model. 2023 Aug 14;63(15):4732-4748. doi: 10.1021/acs.jcim.3c00197. Epub 2023 Jul 27. J Chem Inf Model. 2023. PMID: 37498626

8

Hydrogen-Bonding and Hydrophobic Interaction Networks as Structural Determinants of Microbial Rhodopsin Function.

Bertalan É, Konno M, Del Carmen Marín M, Bagherzadeh R, Nagata T, Brown L, Inoue K, Bondar AN. Bertalan É, et al. Among authors: bondar an. J Phys Chem B. 2024 Aug 1;128(30):7407-7426. doi: 10.1021/acs.jpcb.4c02946. Epub 2024 Jul 18. J Phys Chem B. 2024. PMID: 39024507

9

Protonation-state-Coupled Conformational Dynamics in Reaction Mechanisms of Channel and Pump Rhodopsins.

Bondar AN, Smith JC. Bondar AN, et al. Photochem Photobiol. 2017 Nov;93(6):1336-1344. doi: 10.1111/php.12790. Epub 2017 Jul 25. Photochem Photobiol. 2017. PMID: 28477350 Review.

10

Proton-Binding Motifs of Membrane-Bound Proteins: From Bacteriorhodopsin to Spike Protein S.

Bondar AN. Bondar AN. Front Chem. 2021 May 31;9:685761. doi: 10.3389/fchem.2021.685761. eCollection 2021. Front Chem. 2021. PMID: 34136464 Free PMC article.

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