Gholami S - Search Results

1

Double Centrosymmetric Si···π Tetrel Bonds as New Synthons─Evidence from Crystal Structures and DFT Calculations.

Aarabi M, Gholami S, Grabowski SJ. Aarabi M, et al. Among authors: gholami s. J Phys Chem A. 2023 Nov 30;127(47):9995-10007. doi: 10.1021/acs.jpca.3c06514. Epub 2023 Nov 17. J Phys Chem A. 2023. PMID: 37975750

2

S-H…O and O-H…O Hydrogen Bonds-Comparison of Dimers of Thiocarboxylic and Carboxylic Acids.

Aarabi M, Gholami S, Grabowski SJ. Aarabi M, et al. Among authors: gholami s. Chemphyschem. 2020 Aug 4;21(15):1653-1664. doi: 10.1002/cphc.202000131. Epub 2020 Jul 8. Chemphyschem. 2020. PMID: 32187829

3

Coexistence of Intra- and Intermolecular Hydrogen Bonds: Salicylic Acid and Salicylamide and Their Thiol Counterparts.

Gholami S, Aarabi M, Grabowski SJ. Gholami S, et al. J Phys Chem A. 2021 Feb 25;125(7):1526-1539. doi: 10.1021/acs.jpca.0c11183. Epub 2021 Feb 16. J Phys Chem A. 2021. PMID: 33591745 Free PMC article.

4

Proton and Lithium Cations Linked to π-Electron and σ-Electron Systems: Are Such Interactions beyond or within the Definition of Hydrogen/Lithium Bond?

Gholami S, Aarabi M, Grabowski SJ. Gholami S, et al. Chemphyschem. 2022 Oct 19;23(20):e202200273. doi: 10.1002/cphc.202200273. Epub 2022 Jul 27. Chemphyschem. 2022. PMID: 35738996

5

Hydrogen and Lithium Bonds-Lewis Acid Units Possessing Multi-Center Covalent Bonds.

Aarabi M, Gholami S, Grabowski SJ. Aarabi M, et al. Among authors: gholami s. Molecules. 2021 Nov 17;26(22):6939. doi: 10.3390/molecules26226939. Molecules. 2021. PMID: 34834037 Free PMC article.

6

Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of Protocols.

Gholami S, Nenov A, Rivalta I, Bocola M, Bordbar AK, Schwaneberg U, Davari MD, Garavelli M. Gholami S, et al. J Phys Chem B. 2018 Aug 9;122(31):7668-7681. doi: 10.1021/acs.jpcb.8b04231. Epub 2018 Jul 30. J Phys Chem B. 2018. PMID: 29996651

7

Identifying binding modes of two synthetic derivatives of adrenalin to the α2C-adrenoceptor by using molecular modeling; insights into the α2C-adrenoceptor activation.

Gholami S, Bordbar AK, Lohrasebi A. Gholami S, et al. Biophys Chem. 2017 Apr;223:17-24. doi: 10.1016/j.bpc.2017.01.005. Epub 2017 Feb 2. Biophys Chem. 2017. PMID: 28187351

8

Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin.

Gholami S, Pedraza-González L, Yang X, Granovsky AA, Ioffe IN, Olivucci M. Gholami S, et al. J Phys Chem Lett. 2019 Oct 17;10(20):6293-6300. doi: 10.1021/acs.jpclett.9b02291. Epub 2019 Oct 3. J Phys Chem Lett. 2019. PMID: 31545053 Free PMC article.

9

Ternary Complex Formation and Photoactivation of a Photoenzyme Results in Altered Protein Dynamics.

Stadler AM, Schneidewind J, Zamponi M, Knieps-Grünhagen E, Gholami S, Schwaneberg U, Rivalta I, Garavelli M, Davari MD, Jaeger KE, Krauss U. Stadler AM, et al. Among authors: gholami s. J Phys Chem B. 2019 Aug 29;123(34):7372-7384. doi: 10.1021/acs.jpcb.9b06608. Epub 2019 Aug 19. J Phys Chem B. 2019. PMID: 31380636

10

Exploring binding properties of naringenin with bovine β-lactoglobulin: a fluorescence, molecular docking and molecular dynamics simulation study.

Gholami S, Bordbar AK. Gholami S, et al. Biophys Chem. 2014 Mar-Apr;187-188:33-42. doi: 10.1016/j.bpc.2014.01.003. Epub 2014 Jan 28. Biophys Chem. 2014. PMID: 24530705

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