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Journal of Molecular Graphics & Modelling|September 8, 2019
Structure based virtual screening of natural products to disrupt the structural integrity of TRAF6 C-terminal domain homotrimerRia Biswas, Nilkanta Chowdhury, Sima Biswas, et al.Journal of Molecular Graphics & Modelling|September 9, 2019
Quantum molecular design and experimental testing of a high-performance zwitterionic corrosion inhibitor for oxidized iron surfacesRicardo Cerón-Camacho, Rodolfo Cisneros-Dévora, José-Manuel Martínez-Magadán, et al.Journal of Molecular Graphics & Modelling|February 15, 2021
Epitope mimicry analysis of SARS-COV-2 surface proteins and human lung proteinsSara Morsy, Ahmed MorsyJournal of Molecular Graphics & Modelling|February 15, 2021
Detonation properties and impact sensitivities of trinitromethane derivatives of three-membered heterocyclic ring compoundsRahana Ameen, Fasila P M, Anakuthil Anoop, et al.Journal of Molecular Graphics & Modelling|December 13, 2016
Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membraneAlireza Khataee, Golchehreh Bayat, Jafar AzamatJournal of Molecular Graphics & Modelling|December 13, 2016
Proliferating miller indices of C20 fullerene device under DFT-NEGF regimeMilanpreet Kaur, Ravinder Singh Sawhney, Derick EnglesJournal of Molecular Graphics & Modelling|December 17, 2016
Alchemical determination of drug-receptor binding free energy: Where we stand and where we could move toPiero ProcacciJournal of Molecular Graphics & Modelling|December 25, 2016
Conformational analysis of 9-crown-3, 9-thiacrown-3 and 9-azacrown-3Nada A Al-Jallal, Adel A El-AzharyJournal of Molecular Graphics & Modelling|November 5, 2016
A DFT study of [3+2] cycloaddition reactions of an azomethine imine with N-vinyl pyrrole and N-vinyl tetrahydroindoleMar Ríos-Gutiérrez, Fouad Chafaa, Abdelmalek Khorief Nacereddine, et al.Journal of Molecular Graphics & Modelling|December 4, 2016
Structure-based analysis of Bacilli and plasmid dihydrofolate reductase evolutionMona Alotaibi, Ben Delos Reyes, Tin Le, et al.Pageof 400