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Journal of Molecular Graphics & Modelling|September 4, 2020
(3 + 2) cycloaddition reaction of 7-isopropylidenebenzonorbornadiene and diazomethane derivatives: A theoretical studyGeorge Baffour Pipim, Richard Tia, Evans AdeiJournal of Molecular Graphics & Modelling|September 4, 2020
Aqueous solutions of hydroxyl-functionalized ionic liquids: Molecular dynamics studiesAmol Chandrakar, B L BhargavaJournal of Molecular Graphics & Modelling|November 5, 2020
Molecular screening of antimalarial, antiviral, anti-inflammatory and HIV protease inhibitors against spike glycoprotein of coronavirusC N Prashantha, K Gouthami, L Lavanya, et al.Journal of Molecular Graphics & Modelling|September 19, 2020
Structure based pharmacophore modelling approach for the design of azaindole derivatives as DprE1 inhibitors for tuberculosisSuma Kb, Ankita Kumari, Diya Shetty, et al.Journal of Molecular Graphics & Modelling|September 22, 2020
Computational investigation of N2O adsorption and dissociation on the silicon-embedded graphene catalyst: A density functional theory perspectiveMohammadtaghi Vakili, Reza Gholizadeh, Aliakbar Ghadi, et al.Journal of Molecular Graphics & Modelling|November 2, 2020
Effects of selective calcium channel blockers on ions' permeation through the human Cav1.2 ion channel: A computational studyFarag E S Mosa, Suryanarayanan C, Tianhua Feng, et al.Journal of Molecular Graphics & Modelling|November 1, 2020
Computational engineering the binding affinity of Adalimumab monoclonal antibody for designing potential biosimilar candidateMd Abdullah-Al-Kamran Khan, Rafeed Rahman Turjya, Abul Bashar Mir Md Khademul IslamJournal of Molecular Graphics & Modelling|November 1, 2020
Divulging the various chemical reactivity of trifluoromethyl-4-vinyl-benzene as well as methyl-4-vinyl-benzene in [3+2] cycloaddition reactionsMohammed El Idrissi, Asli Eşme, Yassine Hakmaoui, et al.Journal of Molecular Graphics & Modelling|November 1, 2020
Effect of formaldehyde properties on SnO2 clusters gas sensitivity: A DFT studyMudar Ahmed Abdulsattar, Hussein H Abed, Rashid Hashim Jabbar, et al.Journal of Molecular Graphics & Modelling|November 1, 2020
The influence of π-linkers configuration on properties of 10-hexylphenoxazine donor-based sensitizer for dye-sensitized solar cell application - Theoretical approachP Pounraj, P Ramasamy, M Senthil PandianPageof 408