Vyshnavi Vennelakanti

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 10

Top Topics

Density Functional Theory

Machine Learning

High Temperature

Top Venues

Inorganic chemistry

The journal of physical chemistry. A

Chemical science

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Vyshnavi Vennelakanti, Mugyeom Jeon, Heather J Kulik
How Do Differences in Electronic Structure Affect the Use of Vanadium Intermediates as Mimics in Nonheme Iron Hydroxylases? Inorganic chemistry (2024)
Vyshnavi Vennelakanti, Mugyeom Jeon, Heather J Kulik
How Do Differences in Electronic Structure Affect the Use of Vanadium Intermediates as Mimics in Nonheme Iron Hydroxylases? Inorganic chemistry 63 (11) (2024)
Vyshnavi Vennelakanti, Mugyeom Jeon, Heather J Kulik
How Do Differences in Electronic Structure Affect the Use of Vanadium Intermediates as Mimics in Nonheme Iron Hydroxylases? Inorganic chemistry 63 (11) (2024)
Vyshnavi Vennelakanti, Irem B Kilic, Gianmarco G Terrones, Chenru Duan, Heather J Kulik
Machine Learning Prediction of the Experimental Transition Temperature of Fe(II) Spin-Crossover Complexes. The journal of physical chemistry. A 128 (1) (2023)
Vyshnavi Vennelakanti, Grace L Li, Heather J Kulik
Why Nonheme Iron Halogenases Do Not Fluorinate C-H Bonds: A Computational Investigation. Inorganic chemistry (2023)
Vyshnavi Vennelakanti, Irem B Kilic, Gianmarco G Terrones, Chenru Duan, Heather J Kulik
Machine Learning Prediction of the Experimental Transition Temperature of Fe(II) Spin-Crossover Complexes. The journal of physical chemistry. A (2023)
Vyshnavi Vennelakanti, Michael G Taylor, Aditya Nandy, Chenru Duan, Heather J Kulik
Assessing the performance of approximate density functional theory on 95 experimentally characterized Fe(II) spin crossover complexes. The Journal of chemical physics 159 (2) (2023)
Natalie H Chan, Christian A Gomez, Vyshnavi Vennelakanti, Qian Du, Heather J Kulik, Jared C Lewis
Non-Native Anionic Ligand Binding and Reactivity in Engineered Variants of the Fe(II)- and α-Ketoglutarate-Dependent Oxygenase, SadA. Inorganic chemistry 61 (36) (2022)
Antonio Del Rio Flores, David W Kastner, Yongle Du, Maanasa Narayanamoorthy, Yuanbo Shen, Wenlong Cai, Vyshnavi Vennelakanti, Nicholas A Zill, Luisa B Dell, Rui Zhai, Heather J Kulik, Wenjun Zhang
Probing the Mechanism of Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase. Journal of the American Chemical Society 144 (13) (2022)
Vyshnavi Vennelakanti, Helena W Qi, Rimsha Mehmood, Heather J Kulik
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 (3) (2020)