Vaibhav A Dixit

7PUBLICATIONS
3CO-AUTHORS
Free radical chemistryCheminformatics and quantitative structure-activity relationshipsFermentationStructure and dynamics of materialsToxicology (incl. clinical toxicology)
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Publications (7)

|Oct 13, 2025
Olaparib Metabolism: Quantum Chemistry, Docking, and Dynamics-Based Insights into Mechanisms and Reactivity.

Anila Nuthi, Upadhyayula Suryanarayana Murty, Vaibhav A Dixit

|May 29, 2025
A context-based matched molecular pair analysis identifies structural transformations that reduce CYP1A2 inhibition.

|Aug 07, 2024
Sulfotransferase-mediated phase II drug metabolism prediction of substrates and sites using accessibility and reactivity-based algorithms.

Shivam Kumar Vyas, Avik Das, Upadhyayula Suryanarayana Murty

|Nov 17, 2022
Mechanisms of Electron Transfer Rate Modulations in Cytochrome P450 BM3.

Vaibhav A Dixit, Upadhyayula Suryanarayana Murty, Priyanka Bajaj

|May 21, 2021
A property-response perspective on modern toxicity assessment and drug toxicity index (DTI).

Vaibhav A Dixit, Pragati Singh

|Aug 08, 2020
How Do Metal Ions Modulate the Rate-Determining Electron-Transfer Step in Cytochrome P450 Reactions?

Vaibhav A Dixit, Jim Warwicker, Sam P de Visser

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Frequent Collaborators

2 joint publications

Sam P de Visser

1 joint publications

Jim Warwicker

1 joint publications

Jochen Blumberger