Vyshnavi Vennelakanti
Affiliations: | Massachusetts Institute of Technology, Cambridge, MA, United States |
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Computational ChemistryGoogle:
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| Chan NH, Gomez CA, Vennelakanti V, et al. (2022) Non-Native Anionic Ligand Binding and Reactivity in Engineered Variants of the Fe(II)- and α-Ketoglutarate-Dependent Oxygenase, SadA. Inorganic Chemistry |
| Del Rio Flores A, Kastner DW, Du Y, et al. (2022) Probing the Mechanism of Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase. Journal of the American Chemical Society |
| Vennelakanti V, Nazemi A, Mehmood R, et al. (2021) Harder, better, faster, stronger: Large-scale QM and QM/MM for predictive modeling in enzymes and proteins. Current Opinion in Structural Biology. 72: 9-17 |
| Dawson CD, Irwin SM, Backman LRF, et al. (2021) Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase. Cell Chemical Biology |
| Vennelakanti V, Qi HW, Mehmood R, et al. (2020) When are two hydrogen bonds better than one? Accurate first-principles models explain the balance of hydrogen bond donors and acceptors found in proteins. Chemical Science. 12: 1147-1162 |