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Journal of Molecular Graphics & Modelling|April 23, 2021
In silico approach for identifying natural lead molecules against SARS-COV-2Shiv Shankar Gupta, Ashwani Kumar, Ravi Shankar, et al.
Journal of Molecular Graphics & Modelling|October 18, 2012
Structural significance of hypermodified nucleic acid base hydroxywybutine (OHyW) which occur at 37th position in the anticodon loop of yeast tRNA(Phe)Navanath M Kumbhar, Bajarang V Kumbhar, Kailas D Sonawane
Journal of Molecular Graphics & Modelling|October 18, 2012
The 3D-QSAR study of 110 diverse, dual binding, acetylcholinesterase inhibitors based on alignment independent descriptors (GRIND-2). The effects of conformation on predictive power and interpretability of the modelsMaja D Vitorović-Todorović, Ilija N Cvijetić, Ivan O Juranić, et al.
Journal of Molecular Graphics & Modelling|October 23, 2012
A DFT study on the interaction between adsorbed silver on C₆₀ and disulfide bondKhaled Azizi, Ali Sohrabinia
Journal of Molecular Graphics & Modelling|October 20, 2012
Insights from molecular dynamics: the binding site of cocaine in the dopamine transporter and permeation pathways of substrates in the leucine and dopamine transportersBonnie A Merchant, Jeffry D Madura
Journal of Molecular Graphics & Modelling|October 20, 2012
Fitting the complexity of GPCRs modulation into simple hypotheses of ligand designChiara Custodi, Roberto Nuti, Tudor I Oprea, et al.
Journal of Molecular Graphics & Modelling|August 14, 2025
Detection of toxic aldrin and chlordane molecules using β-arsenic phosphide nanotubes - a first-principles perspectiveM S Jyothi, V Nagarajan, R Chandiramouli
Journal of Molecular Graphics & Modelling|August 16, 2025
2D TiB2 monolayer as a promising anode material for high-performance magnesium-ion batteriesTingting Feng, Dong Dong
Journal of Molecular Graphics & Modelling|August 8, 2025
Engineering graphyne-supported single-atom catalysts for efficient nitrogen reduction to ammonia: First-principles investigationNahed H Teleb, Yasmeen G Abou El-Reash, Nuha Y Elamin, et al.
Journal of Molecular Graphics & Modelling|October 28, 2025
DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drugAli B M Ali, Ammar Yasir Ahmed, G Padma Priya, et al.
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