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Journal of Molecular Graphics & Modelling|September 17, 2018
Docking and pharmacodynamic studies on hGAT1 inhibition activity in the presence of selected neuronal and astrocytic inhibitors. Part IAlicja Nowaczyk, Łukasz Fijałkowski, Paula Zaręba, et al.Journal of Molecular Graphics & Modelling|September 30, 2021
High-throughput virtual screening followed by in vitro investigation to identify new lead inhibitors of Cyclin Dependent Kinase 4V Divya, V L PushpaJournal of Molecular Graphics & Modelling|October 14, 2021
Identification of Berbamine, Oxyacanthine and Rutin from Berberis asiatica as anti-SARS-CoV-2 compounds: An in silico studyTanuja Joshi, Sunaullah Bhat, Hemlata Pundir, et al.Journal of Molecular Graphics & Modelling|October 15, 2021
Computer analysis of the relation between hydrogen bond stability in SOD1 mutants and the survival time of amyotrophic lateral sclerosis patientsNikolay A Alemasov, Vladimir S Timofeev, Nikita V Ivanisenko, et al.Journal of Molecular Graphics & Modelling|January 22, 2022
Physisorption and chemisorption of CO2 on Fe-MIL-88B derivatives: Impact of the functional groups on the electronic properties and adsorption tendency - A theoretical investigationNguyen Thi Thu Ha, Ha Thi Thao, Nguyen Ngoc HaJournal of Molecular Graphics & Modelling|January 23, 2022
Topological description of complex patterns of bonding, charge transference and structural changes in chemical reactions: SN2 type reactions, a case studyRosana M Lobayan, Roberto C Bochicchio, Alejandro D MarturetJournal of Molecular Graphics & Modelling|April 24, 2022
The SARS-CoV-2 helicase as a target for antiviral therapy: Identification of potential small molecule inhibitors by in silico modellingEleni Pitsillou, Julia Liang, Andrew Hung, et al.Journal of Molecular Graphics & Modelling|May 22, 2023
Exploring structural requirements of HDAC10 inhibitors through comparative machine learning approachesArijit Bhattacharya, Sk Abdul Amin, Prabhat Kumar, et al.Journal of Molecular Graphics & Modelling|April 15, 2023
Recent progress on the synthesis, properties and applications of antimonene - A mini-reviewR Bhuvaneswari, V Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|May 5, 2023
Metalloporphyrin reduced C70 fullerenes as adsorbents and detectors of ethenone; A DFT, NBO, and TD-DFT studyHamidreza Jouypazadeh, Sattar Arshadi, Bernardo Cespedes Panduro, et al.Pageof 407