Vyshnavi Vennelakanti - Publications
Affiliations: | Massachusetts Institute of Technology, Cambridge, MA, United States |
Area:
Computational ChemistryYear | Citation | Score | |||
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2022 | Chan NH, Gomez CA, Vennelakanti V, Du Q, Kulik HJ, Lewis JC. Non-Native Anionic Ligand Binding and Reactivity in Engineered Variants of the Fe(II)- and α-Ketoglutarate-Dependent Oxygenase, SadA. Inorganic Chemistry. PMID 36044713 DOI: 10.1021/acs.inorgchem.2c02872 | 0.53 | |||
2022 | Del Rio Flores A, Kastner DW, Du Y, Narayanamoorthy M, Shen Y, Cai W, Vennelakanti V, Zill NA, Dell LB, Zhai R, Kulik HJ, Zhang W. Probing the Mechanism of Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase. Journal of the American Chemical Society. PMID 35254829 DOI: 10.1021/jacs.1c12891 | 0.576 | |||
2021 | Vennelakanti V, Nazemi A, Mehmood R, Steeves AH, Kulik HJ. 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. PMID 34388673 DOI: 10.1016/j.sbi.2021.07.004 | 0.596 | |||
2021 | Dawson CD, Irwin SM, Backman LRF, Le C, Wang JX, Vennelakanti V, Yang Z, Kulik HJ, Drennan CL, Balskus EP. Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase. Cell Chemical Biology. PMID 33773110 DOI: 10.1016/j.chembiol.2021.03.001 | 0.706 | |||
2020 | Vennelakanti V, Qi HW, Mehmood R, Kulik HJ. 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. PMID 35382134 DOI: 10.1039/d0sc05084a | 0.435 | |||
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