partha sarathi sahoo

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Publications (8)

• Design of a next-generation multi-target multi-epitope tuberculosis vaccine using an epitope order optimization approach: A 500 ns molecular dynamics study
  Computational Biology and Chemistry 2027 DOI: 10.1016/j.compbiolchem.2026.109386
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• c-di-AMP analogs as allosteric inhibitors against tuberculosis: A 500 ns molecular dynamics study
  Letters in Drug Design & Discovery 2026 DOI: 10.1016/j.lddd.2026.100393
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• Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS‐CoV‐2 Main Protease: Structure‐Based Virtual Screening and Molecular Dynamics Simulation Investigations
  ChemistrySelect 2023 DOI: 10.1002/slct.202302295
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• Appraisal of Pancreatic Lipase Inhibitory Potential of Ziziphus oenoplia (L.)Mill. Leaves by In Vitro and In Silico Approaches
  ACS Omega 2023 DOI: 10.1021/acsomega.2c07361
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• Understanding the structural basis of the binding specificity of c-di-AMP to M. smegmatis RecA using computational biology approach
  Journal of Biomolecular Structure and Dynamics 2023 DOI: 10.1080/07391102.2023.2227709
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• Molecular docking analysis reveals differential binding affinities of multiple classes of selective inhibitors towards cancer-associated KRAS mutants
  3 Biotech 2022 DOI: 10.1007/s13205-022-03407-9
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• Estimated sensitivity profiles of lung cancer specific uncommon BRAF mutants towards experimental and clinically approved kinase inhibitors
  Toxicology and Applied Pharmacology 2022 DOI: 10.1016/j.taap.2022.116213
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• Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies
  Journal of Molecular Modeling 2022 DOI: 10.1007/s00894-022-05355-w
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