Samayaditya Singh

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Publications (8)

• Virtual screening of rice phytochemical scaffolds targeting peptide deformylase of Xanthomonas Oryzae pv. Oryzae for the control of bacterial leaf blight
  Indian Journal of Biochemistry and Biophysics 2025 DOI: 10.56042/ijbb.v62i11.17799
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• Computational Inference of Gene Regulatory Network Using Genome-wide ChIP-X Data
  Methods in Molecular Biology 2024 DOI: 10.1007/978-1-0716-3461-5_16
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• Identification of potent inhibitors against chorismate synthase of Toxoplasma gondii using molecular dynamics simulations
  Journal of Molecular Graphics and Modelling 2022 DOI: 10.1016/j.jmgm.2022.108183
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• Structural and functional insights into fungal glutaminase using a computational approach
  Process Biochemistry 2022 DOI: 10.1016/j.procbio.2022.03.019
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• Multi-epitope vaccine against SARS-CoV-2 applying immunoinformatics and molecular dynamics simulation approaches
  Journal of Biomolecular Structure and Dynamics 2022 DOI: 10.1080/07391102.2020.1844060
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• Exploring naphthyl derivatives as SARS-CoV papain-like protease (PLpro) inhibitors and its implications in COVID-19 drug discovery
  Molecular Diversity 2022 DOI: 10.1007/s11030-021-10198-3
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• First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery
  Molecular Diversity 2021 DOI: 10.1007/s11030-020-10166-3
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• Molecular dynamics analysis of phytochemicals from Ageratina adenophora against COVID-19 main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE2)
  Biocatalysis and Agricultural Biotechnology 2021 DOI: 10.1016/j.bcab.2021.101924
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