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Journal of Biomolecular Structure & Dynamics|May 2, 2023
Computer aided drug discovery (CADD) of a thieno[2,3-d]pyrimidine derivative as a new EGFR inhibitor targeting the ribose pocketEman A Sobh, Mohammed A Dahab, Eslam B Elkaeed, et al.Journal of Biomolecular Structure & Dynamics|May 2, 2023
Effectiveness of estrogen and its derivatives over dexamethasone in the treatment of COVID-19Darakhshan Parveen, Anwesha Das, Shaista Amin, et al.Journal of Biomolecular Structure & Dynamics|May 2, 2023
Integrated molecular and quantum mechanical approach to identify novel potent natural bioactive compound against 2'-O-methyltransferase (nsp16) of SARS-CoV-2Jobin Thomas, Sanjit Kumar, Jitendra SatijaJournal of Biomolecular Structure & Dynamics|April 28, 2023
A biophysical approach of tyrphostin AG879 binding information in: bovine serum albumin, human ErbB2, c-RAF1 kinase, SARS-CoV-2 main protease and angiotensin-converting enzyme 2Subramani Karthikeyan, Anandh Sundaramoorthy, Saravanan Kandasamy, et al.Journal of Biomolecular Structure & Dynamics|April 28, 2023
Fourteen immunomodulatory alkaloids and two prenylated phenylpropanoids with dual therapeutic approach for COVID-19: molecular docking and dynamics studiesRowida Omar, Mohamed Abd El-Salam, Marwa Elsbaey, et al.Journal of Biomolecular Structure & Dynamics|April 28, 2023
Proposing lead compounds for the development of SARS-CoV-2 receptor-binding inhibitorsElvis Awuni, Radiatu Abdallah MusahJournal of Biomolecular Structure & Dynamics|April 28, 2023
Computational investigation of the impact of potential AT2R polymorphism on small molecule bindingBhanu Sharma, Md Tabish Rehman, Mohamed F AlAjmi, et al.Journal of Biomolecular Structure & Dynamics|May 11, 2023
In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agentsMustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, et al.Journal of Biomolecular Structure & Dynamics|May 11, 2023
Modelling of AgrA inhibitors to combat anti-microbial resistance in Staphylococcus aureusAmitha Joy, Febin Seethi V, Marria C Cyriac, et al.Journal of Biomolecular Structure & Dynamics|May 15, 2023
Analysis of the binding pattern of NIK inhibitors by computational simulationYingkai TangPageof 931