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Journal of Biomolecular Structure & Dynamics|September 29, 2020
Molecular docking study and molecular dynamic simulation of human cyclooxygenase-2 (COX-2) with selected eutypoidsLoubna Taidi, Amal Maurady, Mohammed Reda BritelJournal of Biomolecular Structure & Dynamics|January 5, 2021
Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors using in silico methodsPushyaraga P Venugopal, Debashree ChakrabortyJournal of Biomolecular Structure & Dynamics|November 30, 2020
Nitric oxide boosters as defensive agents against COVID-19 infection: an opinionJan Mohammad Mir, Ram Charitra MauryaJournal of Biomolecular Structure & Dynamics|November 30, 2020
Carfilzomib as a potential inhibitor of NADH-dependent enoyl-acyl carrier protein reductases of Klebsiella pneumoniae and Mycobacterium tuberculosis as a drug target enzyme: insights from molecular docking and molecular dynamicsA M U B Mahfuz, Felipe Stambuk Opazo, Luis F Aguilar, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2020
A theoretical study on the role of stability of cytosine and its tautomers in DNA (deoxyribonucleic acid), and investigation of interactions of Na+, K+, Mg2+, Ca2+, Zn2+ metal ions and OH radical with cytosine tautomersRaziyeh Sharafdini, Shapour RamazaniJournal of Biomolecular Structure & Dynamics|November 30, 2020
Design of a multi-epitope-based vaccine targeting M-protein of SARS-CoV2: an immunoinformatics approachVijaya Sai Ayyagari, Venkateswarulu T C, Abraham Peele K, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2020
Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics studyBilal J M Aldahham, Khattab Al-Khafaji, Mohanad Yakdhan Saleh, et al.Journal of Biomolecular Structure & Dynamics|January 11, 2021
Predictive medicinal metabolites from Momordica dioica against comorbidity related proteins of SARS-CoV-2 infectionsChavan Sakshi, A Harikrishnan, Selvakumar Jayaraman, et al.Journal of Biomolecular Structure & Dynamics|January 6, 2021
Monte-Carlo method-based QSAR model to discover phytochemical urease inhibitors using SMILES and GRAPH descriptorsKumar Sambhav Chopdar, Ganesh Chandra Dash, Pranab Kishor Mohapatra, et al.Journal of Biomolecular Structure & Dynamics|December 23, 2020
Identification of potential non-nucleoside MraY inhibitors for tuberculosis chemotherapy using structure-based virtual screeningPankaj Pandey, Shamba Chatterjee, Tomayo Berida, et al.Pageof 935