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Journal of Biomolecular Structure & Dynamics|November 13, 2020
LRH-1 (liver receptor homolog-1) derived affinity peptide ligand to inhibit interactions between β-catenin and LRH-1 in pancreatic cancer cells: from computational design to experimental validationKhadijeh Pouraghajan, Hamid Mahdiuni, Sirous Ghobadi, et al.Journal of Biomolecular Structure & Dynamics|November 13, 2020
Design and development of 5-(4H)-oxazolones as potential inhibitors of human carbonic anhydrase VA: towards therapeutic management of diabetes and obesityAmarjyoti Das Mahapatra, Aarfa Queen, Mohd Yousuf, et al.Journal of Biomolecular Structure & Dynamics|November 13, 2020
Molecular dynamic study on PTEN frameshift mutations in breast cancer provide c2 domain as a potential biomarkerRohit Karn, Isaac Arnold EmersonJournal of Biomolecular Structure & Dynamics|September 3, 2020
In-silico strategies for identification of potent inhibitor for MMP-1 to prevent metastasis of breast cancerVelu Shunmuga Priya, Dhinakararajan Pradiba, Murali Aarthy, et al.Journal of Biomolecular Structure & Dynamics|September 3, 2020
Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with MproAbhithaj J, Dileep Francis, Sharanya C S, et al.Journal of Biomolecular Structure & Dynamics|September 4, 2020
Theoretical evaluation of EGFR kinase inhibition and toxicity of di-indol-3-yl disulphides with anti-cancer potencyTeresa Żołek, Aleksandra Trzeciak, Dorota MaciejewskaJournal of Biomolecular Structure & Dynamics|September 8, 2020
Screening of plant-based natural compounds as a potential COVID-19 main protease inhibitor: an in silico docking and molecular dynamics simulation approachRanabir Majumder, Mahitosh MandalJournal of Biomolecular Structure & Dynamics|November 23, 2020
Identification of novel human neutrophil elastase inhibitors from dietary phytochemicals using in silico and in vitro studiesRamachandran Vidhya, Velmurugan Ilavarasi Anbumani, Ampasala Dinakara Rao, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2020
In silico design of influenza a virus artificial epitope-based T-cell antigens and the evaluation of their immunogenicity in miceSergei I Bazhan, Denis V Antonets, Ekaterina V Starostina, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2020
Cordycepin: a bioactive metabolite of Cordyceps militaris and polyadenylation inhibitor with therapeutic potential against COVID-19Akalesh Kumar VermaPageof 935