17 results on '"Aliakbar Tehrani, Zahra"'
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2. Molecular dynamics simulations provide structural insight into binding of cyclic dinucleotides to human STING protein.
3. Do coinage metal anions interact with substituted benzene derivatives?
4. Comparison of gas phase intrinsic properties of cytosine and thymine nucleobases with their O-alkyl adducts: different hydrogen bonding preferences for thymine versus O-alkyl thymine
5. Computational investigation of thermochemical properties of non-natural C-nucloebases: different hydrogen-bonding preferences for non-natural Watson–Crick base pairs
6. Conformational aspects of glutathione tripeptide: electron density topological & natural bond orbital analyses
7. Thermochemical properties of some vinyl chloride-induced DNA lesions: detailed view from NBO & AIM analysis
8. Structural behavior of sugar radicals formed by proton transfer reaction of deoxycytidine cation radical: detailed view from NBO analysis
9. Protein–Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory
10. Conformational energies and equilibria of cyclic dinucleotidesin vacuoand in solution: computational chemistryvs.NMR experiments
11. Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments.
12. Halides with Fifteen Aliphatic C–H···Anion Interaction Sites
13. Functional molecules and materials by π-Interaction based quantum theoretical design
14. Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface
15. Computational investigation of thermochemical properties of non-natural C-nucloebases: different hydrogen-bonding preferences for non-natural Watson–Crick base pairs
16. Conformational aspects of glutathione tripeptide: electron density topological & natural bond orbital analyses
17. Interactions of GlutathioneTripeptide with Gold Cluster:Influence of Intramolecular Hydrogen Bond on Complexation Behavior.
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