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Journal of Biomolecular Structure & Dynamics|October 10, 2020
Molecular modeling study of tectoquinone and acteoside from Tectona grandis linn: a new SARS-CoV-2 main protease inhibitor against COVID-19Anoop Kallingal, Varun Thachan Kundil, Aravind Ayyolath, et al.Journal of Biomolecular Structure & Dynamics|October 5, 2020
Structural analysis, virtual screening and molecular simulation to identify potential inhibitors targeting 2'-O-ribose methyltransferase of SARS-CoV-2 coronavirusYuanyuan Jiang, Lanxin Liu, Morenci Manning, et al.Journal of Biomolecular Structure & Dynamics|September 30, 2020
In silico and in vitro investigations on the protein-protein interactions of glutathione S-transferases with mitogen-activated protein kinase 8 and apoptosis signal-regulating kinase 1Chakradhara Rao S Uppugunduri, Jayaraman Muthukumaran, Shannon Robin, et al.Journal of Biomolecular Structure & Dynamics|September 30, 2020
Biological evaluation of gallic acid and quercetin derived from Ceriops tagal: insights from extensive in vitro and in silico studiesV Sachithanandam, A Parthiban, P Lalitha, et al.Journal of Biomolecular Structure & Dynamics|October 8, 2020
Finding potent inhibitors for COVID-19 main protease (Mpro): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONAMohit Motiwale, Neetu Singh Yadav, Sushil Kumar, et al.Journal of Biomolecular Structure & Dynamics|October 8, 2020
Using structural analysis to explore the role of hepatitis B virus mutations in immune escape from liver cancer in Chinese, European and American populationsShuanglin Gu, Li Lv, Xue Lin, et al.Journal of Biomolecular Structure & Dynamics|December 25, 2018
Epitope-driven common subunit vaccine design against H. pylori strainsChiranjeevi Pasala, Chandra Sekhar Reddy Chilamakuri, Sudheer Kumar Katari, et al.Journal of Biomolecular Structure & Dynamics|December 25, 2018
Identification of novel urease inhibitors: pharmacophore modeling, virtual screening and molecular docking studiesRicha Arora, Upasana Issar, Rita KakkarJournal of Biomolecular Structure & Dynamics|January 17, 2019
Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR studySanskar Jain, Sk Abdul Amin, Nilanjan Adhikari, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2018
Comparative study of the bindings between 3-phenyl-1H-indazole and five proteins by isothermal titration calorimetry, spectroscopy and docking methodsNing Wang, Xinxin Han, Junya Li, et al.Pageof 931