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Journal of Biomolecular Structure & Dynamics|July 7, 2021
Structure-based virtual screening, molecular dynamics simulation and in vitro evaluation to identify inhibitors against NAMPTShruti Panwar, Anita Kumari, Hitesh Kumar, et al.Journal of Biomolecular Structure & Dynamics|July 7, 2021
Comparative analysis of SARS-CoV-2 envelope viroporin mutations from COVID-19 deceased and surviving patients revealed implications on its ion-channel activities and correlation with patient mortalityTayyeba Rizwan, Akansha Kothidar, Himanshu Meghwani, et al.Journal of Biomolecular Structure & Dynamics|May 27, 2021
Comparative molecular dynamics simulations identify a salt-sensitive loop responsible for the halotolerant activity of GH5 cellulasesYuxuan Song, Xiuyun Wu, Yue Zhao, et al.Journal of Biomolecular Structure & Dynamics|May 27, 2021
Inhibition potential evaluation of two synthetic bis-indole compounds on amyloid fibrillation: a molecular simulation studyKaveh Khodayari, Mozhgan Alipour, Iman Rad, et al.Journal of Biomolecular Structure & Dynamics|July 13, 2021
Design, synthesis, and molecular dynamics simulation studies of quinoline derivatives as protease inhibitors against SARS-CoV-2Vishal K Singh, Himani Chaurasia, Priyanka Kumari, et al.Journal of Biomolecular Structure & Dynamics|July 13, 2021
Emetine, a potent alkaloid for the treatment of SARS-CoV-2 targeting papain-like protease and non-structural proteins: pharmacokinetics, molecular docking and dynamic studiesMejdi Snoussi, Alaeddine Redissi, Amor Mosbah, et al.Journal of Biomolecular Structure & Dynamics|December 8, 2020
Understanding the biological role of PqqB in Pseudomonas stutzeri using molecular dynamics simulation approachPrassan Choudhary, Arpan Bhowmik, Hillol Chakdar, et al.Journal of Biomolecular Structure & Dynamics|November 28, 2020
Multiple epitope-based vaccine prediction against SARS-CoV-2 spike glycoproteinPreeti Rana Sirohi, Jyoti Gupta, Pallavi Somvanshi, et al.Journal of Biomolecular Structure & Dynamics|January 13, 2021
Oncogenic potential of ATAD2 in stomach cancer and insights into the protein-protein interactions at its AAA + ATPase domain and bromodomainAditi Nayak, Sugandh Kumar, Shivaram Prasad Singh, et al.Journal of Biomolecular Structure & Dynamics|January 13, 2021
In silico analysis of antiviral phytochemicals efficacy against Epstein-Barr virus glycoprotein HShweta Jakhmola, Zaved Hazarika, Anupam Nath Jha, et al.Pageof 932