Follow
Samira Gholami
Samira Gholami
Forschungszentrum Jülich, Institute for Advanced Simulation, Computational Biomedicine (IAS-5/INM-9)
Verified email at fz-juelich.de
Title
Cited by
Cited by
Year
Exploring binding properties of naringenin with bovine β-lactoglobulin: A fluorescence, molecular docking and molecular dynamics simulation study
S Gholami, AK Bordbar
Biophysical chemistry 187, 33-42, 2014
602014
Diadzein complexation with unmodified cyclodextrins: a detailed experimental and theoretical study
F Fateminasab, AK Bordbar, S Shityakov, S Gholami
Journal of Molecular Liquids 271, 80-95, 2018
202018
Theoretical model of the protochlorophyllide oxidoreductase from a hierarchy of protocols
S Gholami, A Nenov, I Rivalta, M Bocola, AK Bordbar, U Schwaneberg, ...
The Journal of Physical Chemistry B 122 (31), 7668-7681, 2018
132018
Multistate multiconfiguration quantum chemical computation of the two-photon absorption spectra of bovine rhodopsin
S Gholami, L Pedraza-González, X Yang, AA Granovsky, IN Ioffe, ...
The journal of physical chemistry letters 10 (20), 6293-6300, 2019
122019
Coexistence of intra-and intermolecular hydrogen bonds: salicylic acid and salicylamide and their thiol counterparts
S Gholami, M Aarabi, SJ Grabowski
The Journal of Physical Chemistry A 125 (7), 1526-1539, 2021
112021
S− H… O and O− H… O Hydrogen Bonds‐Comparison of Dimers of Thiocarboxylic and Carboxylic Acids
M Aarabi, S Gholami, SJ Grabowski
ChemPhysChem 21 (15), 1653-1664, 2020
102020
Hydrogen and Lithium Bonds—Lewis Acid Units Possessing Multi-Center Covalent Bonds
M Aarabi, S Gholami, SJ Grabowski
Molecules 26 (22), 6939, 2021
72021
Ternary complex formation and photoactivation of a photoenzyme results in altered protein dynamics
AM Stadler, J Schneidewind, M Zamponi, E Knieps-Grünhagen, ...
The Journal of Physical Chemistry B 123 (34), 7372-7384, 2019
62019
Spectroscopic and molecular modeling probing of biophysical influence of β-casein nano-protein on adrenaline and arachidonoyl adrenaline
H Abolhassani, AK Bordbar, N Fani, Z Adibipour, M Sahihi, ...
Monatshefte für Chemie-Chemical Monthly 149, 185-196, 2018
52018
Spectroscopic and dynamic properties of arachidonoyl serotonin-β-lactoglobulin complex: A molecular modeling and chemometric study
S Gholami, AK Bordbar, N Akvan
Journal of Photochemistry and Photobiology B: Biology 162, 519-528, 2016
52016
Binding assessment of two arachidonic-based synthetic derivatives of adrenalin with β-lactoglobulin: Molecular modeling and chemometrics approach
S Gholami, AK Bordbar, N Akvan, H Parastar, N Fani, NM Gretskaya, ...
Biophysical chemistry 207, 97-106, 2015
42015
Identifying binding modes of two synthetic derivatives of adrenalin to the α2C-adrenoceptor by using molecular modeling; insights into the α2C–adrenoceptor activation
S Gholami, AK Bordbar, A Lohrasebi
Biophysical Chemistry 223, 17-24, 2017
32017
Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters
N Dmitrieva, S Gholami, C Alleva, P Carloni, M Alfonso-Prieto, C Fahlke
bioRxiv, 2024.02. 07.579339, 2024
12024
Double Centrosymmetric Si··· π Tetrel Bonds as New Synthons─ Evidence from Crystal Structures and DFT Calculations
M Aarabi, S Gholami, SJ Grabowski
The Journal of Physical Chemistry A 127 (47), 9995-10007, 2023
12023
Proton and Lithium Cations Linked to π‐Electron and σ‐Electron Systems: Are Such Interactions beyond or within the Definition of Hydrogen/Lithium Bond?
S Gholami, M Aarabi, SJ Grabowski
ChemPhysChem 23 (20), e202200273, 2022
12022
Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study
S Gholami, AK Bordbar
Physical Chemistry Research 5 (2), 205-219, 2017
12017
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct
P Malakar, S Gholami, M Aarabi, I Rivalta, M Sheves, M Garavelli, ...
Nature Communications 15 (1), 2136, 2024
2024
Transport mechanisms of DgoT—a bacterial homolog of organic anion transporters
N Dmitrieva, S Gholami, C Alleva, MA Prieto, P Carloni, CM Fahlke
Biophysical Journal 123 (3), 116a, 2024
2024
Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds
S Gholami, M Aarabi, SJ Grabowski
ChemPhysChem, e202300849, 2024
2024
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes
M Aarabi, D Aranda, S Gholami, SK Meena, F Lerouge, Y Bretonniere, ...
Journal of Chemical Theory and Computation 19 (17), 5938-5957, 2023
2023
The system can't perform the operation now. Try again later.
Articles 1–20