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Journal of Biomolecular Structure & Dynamics|February 27, 2020
Design and production of new chimeric reteplase with enhanced fibrin affinity: a theoretical and experimental studyElmira Mohammadi, Karim Mahnam, Ali Jahanian-Najafabadi, et al.Journal of Biomolecular Structure & Dynamics|February 27, 2020
Alanine scanning combined with interaction entropy studying the differences of binding mechanism on HIV-1 and HIV-2 proteases with inhibitorYalong Cong, Lili Duan, Kaifang Huang, et al.Journal of Biomolecular Structure & Dynamics|February 29, 2020
Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibitionVivek Dhar Dwivedi, Shiv Bharadwaj, Sumbul Afroz, et al.Journal of Biomolecular Structure & Dynamics|February 11, 2020
Extensive immunoinformatics study for the prediction of novel peptide-based epitope vaccine with docking confirmation against envelope protein of Chikungunya virus: a computational biology approachSyed Shahariar Bappy, Sorna Sultana, Juthi Adhikari, et al.Journal of Biomolecular Structure & Dynamics|February 11, 2020
Delineating the folding perturbations and molecular mechanisms of Thr-Ala 642 mutation in Rab-GTPase activating protein Akt substrate of 160kDa and its impact on the aetiology of diabetesUtkarsh Nagpal, D Kamalesh, P Raghuraman, et al.Journal of Biomolecular Structure & Dynamics|February 11, 2020
Pharmacophore-guided fragment-based design of novel mammalian target of rapamycin inhibitors: extra precision docking, fingerprint-based 2D and atom-based 3D-QSAR modellingAvinash Kumar, Sudhanshu Rai, Ekta Rathi, et al.Journal of Biomolecular Structure & Dynamics|November 7, 2019
Targeting the NTPase site of Zika virus NS3 helicase for inhibitor discoveryDeepak Kumar, Murali Aarthy, Prateek Kumar, et al.Journal of Biomolecular Structure & Dynamics|November 9, 2019
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10Abdullahi Ibrahim Uba, Kemal YelekçiJournal of Biomolecular Structure & Dynamics|December 7, 2019
Molecular dynamics and computational study of Mannich-based coumarin derivatives: potent tyrosine kinase inhibitorChita Ranjan Sahoo, Sudhir Kumar Paidesetty, Budheswar Dehury, et al.Journal of Biomolecular Structure & Dynamics|January 10, 2020
Molecular basis of SMAC-XIAP binding and the effect of electrostatic polarizationShuaizhen Tian, Changge Ji, John Z H ZhangPageof 935