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Journal of Biomolecular Structure & Dynamics|May 14, 2021
Repurposing of the herbal formulations: molecular docking and molecular dynamics simulation studies to validate the efficacy of phytocompounds against SARS-CoV-2 proteinsChinmayi Joshi, Armi Chaudhari, Chaitanya Joshi, et al.Journal of Biomolecular Structure & Dynamics|June 9, 2020
Deciphering effectual binding potential of xylo-substrates towards xylose isomerase and xylokinase through molecular docking and molecular dynamic simulationSinosh Skariyachan, Ishu Khangwal, Vidya Niranjan, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2020
Investigation of HDAC8-ligands' intermolecular forces through molecular dynamics simulations: profiling of non-bonding energies to design potential compounds as new anti-cancer agentsVarun Dewaker, Ajay K Srivastava, Ashish Arora, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2020
In-silico investigation of phytochemicals from Asparagus racemosus as plausible antiviral agent in COVID-19Rupesh V Chikhale, Saurabh K Sinha, Rajesh B Patil, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2020
Binding insight of clinically oriented drug famotidine with the identified potential target of SARS-CoV-2Parth Sarthi Sen Gupta, Satyaranjan Biswal, Dipankar Singha, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2020
Five new complexes with deferiprone and N,N-donor ligands: evaluation of cytotoxicity against breast cancer MCF-7 cell line and HSA-binding determinationFatemeh Delavar Mendi, Amir Sh Saljooghi, Mohammad Ramezani, et al.Journal of Biomolecular Structure & Dynamics|June 26, 2020
Fingerprint-based similarity search identified p-anisidine as an anticancer agent in HeLa and a prospective phytochemical ETV1 transcription factor inhibitorAmbily Nath, Achuthsankar S NairJournal of Biomolecular Structure & Dynamics|June 26, 2020
In silico structure prediction, molecular docking and dynamic simulation studies on G Protein-Coupled Receptor 116: a novel insight into breast cancer therapyIndiraleka Muthiah, Karthikeyan Rajendran, Premnath Dhanaraj, et al.Journal of Biomolecular Structure & Dynamics|April 28, 2021
Evaluation of the antiglycating potential of thymoquinone and its interaction with BSADinesh Kumar, Amisha Desa, Sana Chougle, et al.Journal of Biomolecular Structure & Dynamics|April 28, 2021
Letter to the Editor: COVID-19 utilization of ACE-2 receptor to enter the host cellMohamed A HendausPageof 935