Publications

IIT Goa

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Prior to IIT Goa

First/Corresponding Author (16)

J. Am. Chem. Soc. (4) ; ACS Catal. (3) ; Chem. Eur. J. (3) ; J. Phys. Chem. B (1) ; ChemPhysChem (2) ; Chem. Phys. Lett. (1) ; Pure Appl. Chem. (1) ; Elsevier Book Chapter (1)

Co-author (4)

J. Org. Chem. ; Proc. Natl. Acad. Sci. U.S.A. ; ACS Catal. ; J. Mater. Chem. C

20. The Action of Plastic Degrading Enzyme is Accelerated Mainly Due to an Increase in Thermal Stability Rather Than by Inherent Catalytic Effect

A. Nandi, and A.Warshel^*

Journal of the American Chemical Society, 2025View

19. Mechanistic Insights into Nitrile and Alkyne Covalent Inhibitors of the SARS-CoV-2 Main Protease

A. Nandi, M. Asadi, Aoxuan Zhang, Zhen T. Chu, and A.Warshel^*

ACS Catalysis, 2025View

18. Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach

A. Nandi, A. Zhang, Z. T. Chu, W. Xie, Z. Xu, S. Dong, A.Warshel^*

Journal of the American Chemical Society, 2024View

17. Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils

A. Nandi^†, A. Zhang^†, E. Arad, R. Jelenik, and A. Warshel^*

ACS Catalysis, 2024View

16. Quantum Tunneling in Computational Catalysis and Kinetics: Is it Really Important?

A. Nandi, G. Molpeceres, P. K. Gupta, J. Martin, J. Kästner, D. T. Major, S. Kozuch^*

Chapter in reference work Comprehensive Computational Chemistry (edited by Russell J. Boyd and Manuel Yañez), Vol. 4, pp. 713-734, 2024View

15. Enhancing luciferase activity and stability through generative modeling of natural enzyme sequences

W. Jun Xie^†,* D. Liu^†, X. Wang^†, A. Zhang, Q. Wei, S. Dong, A. Nandi, and A. Warshel^*

Proceedings of the National Academy of Sciences, 2023View

14. Reactivity and Enantioselectivity in NHC Organocatalysis Provide Evidence for the Complex Role of Modifications at the Secondary Sphere

Z. Alassad^†, A. Nandi^†, S. Kozuch^*, and A. Milo^*

Journal of the American Chemical Society, 2023View

13. Thioxobimanes

P. Das, A. Roy, A. Nandi, I. Neogi, Y. Posner, I. Pinkas, S. Kozuch, M. Firer, M. Montag^*, F. Grynszpan^*

Journal of Organic Chemistry, 2023View

12. Thermally-Activated Tunneling in the Two-Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds

A. Nandi^*, and J. Martin^*

ChemPhysChem, 2022View

11. Heavy-Atom Tunneling in the Covalent/Dative Bond Complexation of Cyclo[18]carbon–piperidine

A. Nandi^*, and J. Martin^*

Journal of Physical Chemistry B, 2022View

10. Visual Organophosphate Vapor Sensing by Dibenzylidine Derivatives Exhibiting Intramolecular Charge Transfer and Aggregation Induced Emission

R. Manikandan, N. Shauloff, A. Nandi, A. Pevzner, S. Marx, R. Jelinek^*

Journal of Materials Chemistry C, 2022View

9. Quantum Tunneling on Carbene Organocatalysis: Breslow Intermediate Formation via Water-Bridges

A. Nandi^*, Z. Alassad, A. Milo, and S. Kozuch

ACS Catalysis, 2021View

8. Rerouting an Organocatalytic Reaction by Intercepting its Reactive Intermediates

S. Gadekar^†, V. Dhayalan^†, A. Nandi, I. Zak, S. Barkai, M. Shema-Mizrachi, S. Kozuch, A. Milo^*

ACS Catalysis, 2021View

7. Boron Tunnelling in the "Weak" Bond-stretch Isomerization of N-B Lewis Adducts

A. Nandi^†, N. Tarannam^†, D. R. Silva, C. F. Guerra, T. A. Hamlin^*, and S. Kozuch^*

ChemPhysChem, 2021View

6. Comment on "Computational evidence for sulfur atom tunneling in the ring flipping reaction of S4N4"

A. Nandi^*, S. Kozuch, and J. Kästner

Chemical Physics Letters, 2020View

5. Ping-Pong Tunneling Reactions, Part 2: Boron and Carbon Bell-Clapper Rearrangement

A. Nandi, A. Sucher, A. Tyomkin, and S. Kozuch^*

Pure and Applied Chemistry, 2020View

4. Carbon Tunneling in the Automerization of Cyclo[18]Carbon

A. Nandi, E. Solel, and S. Kozuch^*

Chemistry – A European Journal, 2020View

3. History and Future of Dative Bonds

A. Nandi, and S. Kozuch^*

Chemistry – A European Journal, 2019View

2. Ping-Pong Tunneling Reactions: Can Fluoride Jump at Absolute Zero?

A. Nandi^†, A. Sucher^†, and S. Kozuch^*

Chemistry – A European Journal, 2018View

1. Isotope-Controlled Selectivity by Quantum Tunneling: Hydrogen Migration versus Ring Expansion in Cyclopropylmethyl Carbenes

A. Nandi, D. Gerbig, P. R. Schreiner, W. T. Borden, S. Kozuch^*

Journal of the American Chemical Society, 2017View