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Journal of Biomolecular Structure & Dynamics|August 6, 2020
Density functional theory, molecular docking and in vivo muscle relaxant, sedative, and analgesic studies of indanone derivatives isolated from Heterophragma adenophyllumAbdullah S M Aljohani, Tareq Abu-Izneid, Zafar Ali Shah, et al.Journal of Biomolecular Structure & Dynamics|August 6, 2020
Synthesis, characterization, powder X-ray diffraction analysis, thermal stability, antioxidant properties and enzyme inhibitions of M(II)-Schiff base ligand complexesKenan Buldurun, Nevin Turan, Ercan Bursal, et al.Journal of Biomolecular Structure & Dynamics|August 6, 2020
Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main proteaseTanuja Joshi, Tushar Joshi, Hemlata Pundir, et al.Journal of Biomolecular Structure & Dynamics|August 5, 2020
Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plantsPriyanka Sharma, Tushar Joshi, Tanuja Joshi, et al.Journal of Biomolecular Structure & Dynamics|August 11, 2020
Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulationsGunalan Seshan, Somarathinam Kanagasabai, Sailapathi Ananthasri, et al.Journal of Biomolecular Structure & Dynamics|August 11, 2020
Investigation of biological activity of nickel (II) complex with naproxen and 1,10-phenanthroline ligandsZeinab Mirzaei-Kalar, Ali Akbar Khandar, Jonathan M White, et al.Journal of Biomolecular Structure & Dynamics|April 5, 2021
Using structural analysis to clarify the impact of single nucleotide variants in neurexin/neuroligin revealed in clinical genomic sequencingKaiyu Xue, Yunyun Hu, Shuanglin Gu, et al.Journal of Biomolecular Structure & Dynamics|April 3, 2021
In silico inquest reveals the efficacy of Cannabis in the treatment of post-Covid-19 related neurodegenerationIndrani Sarkar, Gargi Sen, Malay Bhattacharya, et al.Journal of Biomolecular Structure & Dynamics|April 8, 2021
Molecular insights into a mechanism of resveratrol action using hybrid computational docking/CoMFA and machine learning approachAkshara Pande, Mahesh Manchanda, Hans Raj Bhat, et al.Journal of Biomolecular Structure & Dynamics|April 8, 2021
Identification of potential inhibitors of Schistosoma mansoni purine nucleoside phosphorylase from neolignan compounds using molecular modelling approachesFábio José Bonfim Cardoso, Luciana Pereira Xavier, Agenor Valadares Santos, et al.Pageof 935