Publications by authors named "Neetu Yadav"

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Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment.
Saad Raza, Neetu Singh Yadav, Alexander Jussupow, Cheryl A Kerfeld, Michael Feig

J Phys Chem B· December 2025

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Anionic Lipids Regulate the Light-Harvesting Complex 1-Reaction Center Photocycle in Purple Bacteria.
Olivia C Fiebig, Graham P Schmidt, Neetu Singh Yadav, Dihao Wang, Muath Nairat

J Am Chem Soc· October 2025

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Structure Characterization of Bacterial Microcompartment Shells via X-ray Scattering and Coordinate Modeling: Evidence for Adventitious Capture of Cytoplasmic Proteins.
Xiaobing Zuo, Alexander Jussupow, Nina S Ponomarenko, Thomas D Grant, Nicholas M Tefft, Neetu Singh Yadav

ACS Appl Bio Mater· March 2025

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Vanadate Inclusion Leading to Red-Ox-Rich Zircon PrCrO: Synthesis, Magnetic, and Catalytic Properties.
Neetu Yadav, Inderjeet Singh, Rajamani Nagarajan

Inorg Chem· November 2024

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One Precursor, Two Different Outcomes: SnO-Graphite Composite and Anion-Doped SnO with Ester Surface Functionality.
Neetu Yadav, Sreejith Olakkil Veedu, Murugan Ramaswamy, Rajamani Nagarajan

Langmuir· April 2024

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Magnetically recoverable FeO nanocatalyst for the synthesis of biodynamically significant 1H-pyrazolo[1,2-b]phthalazine-5,10-diones derivatives and its DFT study.
Mohd Danish Ansari, Hozeyfa Sagir, Vijay B Yadav, Neetu Yadav, Ankit Verma

Mol Divers· August 2023

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Hole and Electron Doping Outcomes in BiYOCl.
Jyoti Pandey, Neetu Yadav, Priyanka Yadav, Shivangi Rao, Kashmira Malla

Inorg Chem· June 2023

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Zircon PrVO: an efficient heterogeneous catalyst for tandem oxidative synthesis of 2,3-disubstituted quinoline derivatives.
Neetu Yadav, Kovuru Gopalaiah, Jyoti Pandey, Rajamani Nagarajan

Dalton Trans· May 2023

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Designing Self-Inhibitory fusion peptide analogous to viral spike protein against novel severe acute respiratory syndrome (SARS-CoV-2).
Indra Singh, Shalini Singh, Krishna Kumar Ojha, Neetu Singh Yadav

J Biomol Struct Dyn· December 2022

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BF-etherate promoted facile access to vinyloxyimidazopyridines: a metal-free sustainable approach.
Saurabh Kumar Tiwari, Mohd Nazeef, Ankit Verma, Ankit Kumar, Vikas Yadav, Neetu Yadav

Mol Divers· April 2022

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Finding potent inhibitors for COVID-19 main protease (M): an approach using SARS-CoV-3CL protease inhibitors for combating CORONA.
Mohit Motiwale, Neetu Singh Yadav, Sushil Kumar, Tushar Kushwaha, Gourav Choudhir

J Biomol Struct Dyn· March 2022

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Identification of Drug Candidates for Breast Cancer Therapy Through Scaffold Repurposing: A Brief Review.
Jubie Selvaraj, Thangavelu Prabha, Neetu Yadav

Curr Drug Res Rev· November 2021

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A New Class of Coumate Benzimidazole Hybrids as BRCA 1 Mimetics Through Unconventional Binding Mode; Synthesis and Preliminary Cytotoxicity Screening.
Selvaraj Jubie, Shyam Sundar, Neetu Yadav, Podila Naresh, Ashish Wadhwani

Curr Comput Aided Drug Des· October 2021

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Canalicular adenoma of the tongue: report of a unique case.
Neetu Yadav, Manisha Khorate, Nigel Figueiredo

Pan Afr Med J· August 2021

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Metal-free visible-light-mediated organophotoredox catalysis: synthesis of 3-functionalized indole via C-C, C-N bond formation.
Neetu Yadav, Mohd Danish Ansari, Vijay B Yadav, Ankit Verma, Saurabh K Tiwari

Mol Divers· May 2021

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Molecular dynamics simulations and experimental studies reveal differential permeability of withaferin-A and withanone across the model cell membrane.
Renu Wadhwa, Neetu Singh Yadav, Shashank P Katiyar, Tomoko Yaguchi, Chohee Lee

Sci Rep· January 2021

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Withdrawal Notice: Design and Synthesis of a Novel Gabapentin- Phosphotidylcholine Conjugate for Targeting to Phospholipase A2 Enzyme through Nanostructured Lipid Carrier.
Anjali P B, Jawahar N, Jubie S, Neetu Yadav, Selvaraj A

Curr Comput Aided Drug Des· December 2020

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Systematic approach of chromone skeleton for detecting Mg, ion: Applications for sustainable cytotoxicity and cell imaging possibilities.
Neetu Yadav, Raj Kumar, Ashok Kumar Singh, Shanid Mohiyuddin, P Gopinath

Spectrochim Acta A Mol Biomol Spectrosc· July 2020

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Conformational perturbation of peptides in presence of polar organic solvents.
Neetu Singh Yadav, Devapriya Choudhury

J Mol Graph Model· June 2019

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Role of Ser65, His148 and Thr203 in the Organic Solvent-dependent Spectral Shift in Green Fluorescent Protein.
Jasvir Kaur, Neetu Singh Yadav, Moirangthem Kiran Singh, Mohd Jahir Khan, Sobhan Sen

Photochem Photobiol· March 2019

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Withdrawn: A brief review of scaffold/ drug repurposing for breast cancer therapy.
Selvaraj Jubie, Neetu Yadav

Anticancer Agents Med Chem· March 2019

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A turn-on ESIPT based fluorescent sensor for detection of aluminum ion with bacterial cell imaging and logic gate applications.
Neetu Yadav, Ashok Kumar Singh

Mater Sci Eng C Mater Biol Appl· September 2018

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A statistical geometry analysis of simulated water-DMSO and water-MeCN binary mixtures for biomolecular studies.
Neetu Singh Yadav, Devapriya Choudhury

Bioinformation· July 2018

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