Shalini Yadav
Affiliations: | Department of Chemistry | Shiv Nadar University |
Area:
MD Simulation, Free Energy Calculation, QM/MMGoogle:
"Shalini Yadav"Mean distance: (not calculated yet)
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Singh W, Santos SFG, Yadav S, et al. (2023) Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry |
| Yadav S, Shaik S, Dubey KD. (2023) Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450. The Journal of Physical Chemistry. B |
| Yadav S, Kardam V, Tripathi A, et al. (2022) The Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes. Journal of Chemical Information and Modeling |
| Guha S, El-Deeb IY, Yadav S, et al. (2022) 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) |
| Dwivedi M, Mukhopadhyay S, Yadav S, et al. (2022) A multidrug efflux protein in Mycobacterium tuberculosis; tap as a potential drug target for drug repurposing. Computers in Biology and Medicine. 146: 105607 |
| Yadav S, Shaik S, Siddiqui SA, et al. (2022) 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 |
| Banerjee S, Yadav S, Banerjee S, et al. (2021) 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 |
| Yadav S, Pandey V, Kumar Tiwari R, et al. (2021) Does Antibody Stabilize the Ligand Binding in GP120 of HIV-1 Envelope Protein? Evidence from MD Simulation. Molecules (Basel, Switzerland). 26 |