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Career

· Researcher, Julia Lab, MIT CSAIL2023–2025
· Graduate Student in Computational Science and Engineering, MIT2023–2025
· Researcher at Julia Lab, MIT2023–

Publications (37)

Zingiber officinale and 6-gingerol alleviate liver and kidney dysfunctions and oxidative stress induced by mercuric chloride in male rats: A protective approach.
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie · 2017
58
cited
Curcuma longa Linn. extract and curcumin protect CYP 2E1 enzymatic activity against mercuric chloride-induced hepatotoxicity and oxidative stress: A protective approach.
Experimental and Toxicological Pathology · 2017
35
cited
SAR and Computer-Aided Drug Design Approaches in the Discovery of Peroxisome Proliferator-Activated Receptor γ Activators: A Perspective
2013
31
cited
Toxic metabolite formation from Troglitazone (TGZ): new insights from a DFT study.
Chemical Research in Toxicology · 2011
31
cited
A simple, mild, and regioselective method for the benzylation of carbohydrate derivatives promoted by silver carbonate.
Carbohydrate Research · 2010
30
cited
Thiourea catalyzed aminolysis of epoxides under solvent free conditions. Electronic control of regioselective ring opening
2010
30
cited
Recent advances in the prediction of non‐CYP450‐mediated drug metabolism
2017
26
cited
How do metal ions modulate the rate-determining electron transfer step in Cytochrome P450 reactions?
Chemistry · 2020
25
cited
An overview of compound properties, multiparameter optimization, and computational drug design methods for PARP-1 inhibitor drugs.
European journal of medicinal chemistry · 2023
21
cited
Density functional study on the cytochrome-mediated S-oxidation: identification of crucial reactive intermediate on the metabolic path of thiazolidinediones.
Journal of Physical Chemistry A · 2012
21
cited
A simple model to solve a complex drug toxicity problem.
Toxicological Research · 2019
18
cited
Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators.
European journal of medicinal chemistry · 2016
18
cited
Advances in Computational Prediction of Regioselective and Isoform‐Specific Drug Metabolism Catalyzed by CYP450s.
2016
14
cited
To study the effect of curcumin on the growth properties of circulating endothelial progenitor cells
In Vitro Cellular & Developmental Biology - Animal · 2015
12
cited
Improved QSAR models for PARP-1 inhibition using data balancing, interpretable machine learning, and matched molecular pair analysis
Molecular diversity · 2024
9
cited
Mechanisms of Electron Transfer Rate Modulations in Cytochrome P450 BM3.
Journal of Physical Chemistry B · 2022
7
cited
Methemoglobin formation in mutant Hemoglobin α-chains: electron transfer parameters and rates.
Biophysical Journal · 2021
7
cited
Preparation and characterization of amoxapine- and naringin-loaded solid lipid nanoparticles: drug-release and molecular-docking studies.
Nanomedicine · 2023
7
cited
CC/B–N substitution in five membered heterocycles. A computational analysis
2017
6
cited
Intramolecular dihydrogen bond: A new perspective in Lewis acid catalyzed nucleophilic epoxide ring opening reaction
2010
6
cited
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Vaibhav Dixit | Researcher Profile | Sotabase | Sotabase