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Journal of Biomolecular Structure & Dynamics|August 8, 2023
Design, synthesis, molecular docking, molecular dynamic simulation, and MMGBSA analysis of 7-O-substituted 5-hydroxy flavone derivativesKajalben B Patel, Rahul V Patel, Iqrar Ahmad, et al.Journal of Biomolecular Structure & Dynamics|July 3, 2023
Dalbergia sissoo phytochemicals as EGFR inhibitors: an in vitro and in silico approachHem N Naik, Dilip Kanjariya, Shahnaz Parveen, et al.Plos One|March 21, 2022
Nonlinear molecular dynamics of quercetin in Gynocardia odorata and Diospyros malabarica fruits: Its mechanistic role in hepatoprotectionArabinda Ghosh, Pranjal Sarmah, Harun Patel, et al.Journal of Biomolecular Structure & Dynamics|May 9, 2023
Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidaseMustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, et al.Bioorganic Chemistry|March 7, 2022
Design, synthesis, molecular docking and molecular dynamics studies of novel triazolothiadiazine derivatives containing furan or thiophene rings as anticancer agentsDerya Osmaniye, Şevval Karaca, Berkant Kurban, et al.Steroids|May 4, 2023
Phytochemical Investigation, In silico/In vivo Analgesic, and Anti-inflammatory Assessment of the Egyptian Cassia occidentalis LHanaa M Sayed, Mahmoud A Ramadan, Heba H Salem, et al.Scientific Reports|January 3, 2024
LC-MS profiling, in vitro and in silico C-ABL kinase inhibitory approach to identify potential anticancer agents from Dalbergia sissoo leavesHem N Naik, Dilip Kanjariya, Shahnaz Parveen, et al.Chemistry & Biodiversity|February 10, 2023
Synthesis, Biological Evaluation, and Molecular Modeling Studies of New 1,3,4-Thiadiazole Derivatives as Potent Antimicrobial AgentsUlviye Acar Çevik, Ismail Celik, Ufuk İnce, et al.Journal of Biomolecular Structure & Dynamics|August 26, 2023
Broadening the scope of WEE1 inhibitors: identifying novel drug candidates via computational approaches and drug repurposingJaikanth Chandrasekaran, Yogeetha Sivakumaresan, Keerthika Shankar, et al.Heliyon|February 21, 2024
Identification of dual-target isoxazolidine-isatin hybrids with antidiabetic potential: Design, synthesis, in vitro and multiscale molecular modeling approachesSiwar Ghannay, Budur Saleh Aldhafeeri, Iqrar Ahmad, et al.Pageof 11