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Journal of Molecular Graphics & Modelling|April 24, 2023
Study on molecular mechanisms of destabilizing Aβ(1-42) protofibrils by licochalcone A and licochalcone B using molecular dynamics simulationsMei Fang, Kehe Su, Xin Wang, et al.Journal of Molecular Graphics & Modelling|August 18, 2020
A novel alignment-free DNA sequence similarity analysis approach based on top-k n-gram match-upEmre Delibaş, Ahmet Arslan, Abdulkadir Şeker, et al.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 SonawaneJournal 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 SohrabiniaJournal 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 MaduraJournal 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 ChandiramouliJournal of Molecular Graphics & Modelling|August 16, 2025
2D TiB2 monolayer as a promising anode material for high-performance magnesium-ion batteriesTingting Feng, Dong DongPageof 401