| Year |
Citation |
Score |
| 2024 |
Yadav S, Shaik S, Dubey KD. On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases. Chemical Science. 15: 5174-5186. PMID 38577361 DOI: 10.1039/d3sc06538c |
0.688 |
|
| 2023 |
Singh W, Santos SFG, Yadav S, Black GW, Dubey KD. Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry. PMID 37092990 DOI: 10.1021/acs.biochem.3c00087 |
0.613 |
|
| 2023 |
Yadav S, Shaik S, Dubey KD. Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450. The Journal of Physical Chemistry. B. PMID 36959730 DOI: 10.1021/acs.jpcb.3c00143 |
0.686 |
|
| 2022 |
Yadav S, Kardam V, Tripathi A, T G S, Dubey KD. The Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes. Journal of Chemical Information and Modeling. PMID 36073971 DOI: 10.1021/acs.jcim.2c00505 |
0.55 |
|
| 2022 |
Guha S, El-Deeb IY, Yadav S, Das R, Dubey KD, Baruah M, Ludovic G, Sen S. Capturing a Pentacyclic Fragment-Based Library Derived from Perophoramidine: Their Design, Synthesis and Evaluation as Anticancer Compounds via DNA Double-Strand Breaks (DSB) and PARP-1 Inhibition. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35952312 DOI: 10.1002/chem.202202405 |
0.585 |
|
| 2022 |
Dwivedi M, Mukhopadhyay S, Yadav S, Dubey KD. A multidrug efflux protein in Mycobacterium tuberculosis; tap as a potential drug target for drug repurposing. Computers in Biology and Medicine. 146: 105607. PMID 35617724 DOI: 10.1016/j.compbiomed.2022.105607 |
0.583 |
|
| 2022 |
Yadav S, Shaik S, Siddiqui SA, Kalita S, Dubey KD. Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ. Journal of Chemical Information and Modeling. PMID 35129977 DOI: 10.1021/acs.jcim.1c01453 |
0.602 |
|
| 2021 |
Banerjee S, Yadav S, Banerjee S, Fakayode SO, Parvathareddy J, Reichard W, Surendranathan S, Mahmud F, Whatcott R, Thammathong J, Meibohm B, Miller DD, Jonsson CB, Dubey KD. Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and Study. Journal of Chemical Information and Modeling. PMID 34666487 DOI: 10.1021/acs.jcim.1c00524 |
0.594 |
|
| 2021 |
Yadav S, Pandey V, Kumar Tiwari R, Ojha RP, Dubey KD. Does Antibody Stabilize the Ligand Binding in GP120 of HIV-1 Envelope Protein? Evidence from MD Simulation. Molecules (Basel, Switzerland). 26. PMID 33466381 DOI: 10.3390/molecules26010239 |
0.602 |
|
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