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Journal of Molecular Graphics & Modelling|March 5, 2019
Conformational perturbation of peptides in presence of polar organic solventsNeetu Singh Yadav, Devapriya Choudhury
Bioinformation|September 29, 2018
A statistical geometry analysis of simulated water-DMSO and water-MeCN binary mixtures for biomolecular studiesNeetu Singh Yadav, Devapriya Choudhury
Journal of Biomolecular Structure & Dynamics|August 11, 2021
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, et al.
The Journal of Physical Chemistry. B|November 5, 2025
Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial MicrocompartmentSaad Raza, Neetu Singh Yadav, Alexander Jussupow, et al.
Journal of Biomolecular Structure & Dynamics|October 8, 2020
Finding potent inhibitors for COVID-19 main protease (Mpro): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONAMohit Motiwale, Neetu Singh Yadav, Sushil Kumar, et al.
Photochemistry and Photobiology|September 22, 2018
Role of Ser65, His148 and Thr203 in the Organic Solvent-dependent Spectral Shift in Green Fluorescent ProteinJasvir Kaur, Neetu Singh Yadav, Moirangthem Kiran Singh, et al.
Scientific Reports|January 28, 2021
Molecular dynamics simulations and experimental studies reveal differential permeability of withaferin-A and withanone across the model cell membraneRenu Wadhwa, Neetu Singh Yadav, Shashank P Katiyar, et al.
Journal of the American Chemical Society|September 23, 2025
Anionic Lipids Regulate the Light-Harvesting Complex 1-Reaction Center Photocycle in Purple BacteriaOlivia C Fiebig, Graham P Schmidt, Neetu Singh Yadav, et al.
ACS Applied Bio Materials|February 27, 2025
Structure Characterization of Bacterial Microcompartment Shells via X-ray Scattering and Coordinate Modeling: Evidence for Adventitious Capture of Cytoplasmic ProteinsXiaobing Zuo, Alexander Jussupow, Nina S Ponomarenko, et al.
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