Rupal Gupta

12PUBLICATIONS
23CO-AUTHORS
Main group metal chemistryBiologically active moleculesTheoretical quantum chemistryStructure and dynamics of materialsFree radical chemistry
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Publications (12)

|Jun 26, 2026
Steric Mapping, Ligand Dynamics, and Cycloisomerization Catalysis with Redox Robust MnI/0/‑I Dicarbenes.

|Jun 22, 2026
Inhibition of Ring-Cleaving Dioxygenases by Natural Amino Acids.

|Sep 19, 2025
Molecular Basis of Calcium-Induced Acidic Shift in Antimicrobial Zinc Sequestration by S100A12.

Mahil Kothalawala, Shaan Shirazi, Qian Wang

|Jul 09, 2024
Proton Transfer via Arginine with Suppressed pKa Mediates Catalysis by Gentisate and Salicylate Dioxygenase.

Qian Wang, Aleksey Aleshintsev, Kamal Rai

|Mar 19, 2024
Calcium mediated static and dynamic allostery in S100A12: Implications for target recognition by S100 proteins.

Qian Wang, Christopher DiForte, Aleksey Aleshintsev

|Feb 16, 2024
Oxygen Activation in Aromatic Ring Cleaving Salicylate Dioxygenase: Detection of Reaction Intermediates with a Nitro-substituted Substrate Analog.

Qian Wang, Hanbin Li, Uran Bujupi

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Frequent Collaborators

2 joint publications

Manman Lu

2 joint publications

Angela M Gronenborn

2 joint publications

Tatyana Polenova

2 joint publications

Angelo Bongiorno