All Stories

  1. Molecular structure of a hyperactive antifreeze protein adsorbed to ice
  2. Structural insight into the mechanism of amyloid precursor protein recognition by β-secretase 1: A molecular dynamics study
  3. Probing the Conformational Dynamics of the Bioactive Peptide TLQP-21 in Solution: A Molecular Dynamics Study
  4. Fragment-based Designing for the Generation of Novel Leads Against BACE1
  5. Structural insights into selective agonist actions of tamoxifen on human estrogen receptor alpha
  6. Mechanistic insight into the radical scavenging activity of polyphenols and its application in virtual screening of phytochemical library: an in silico approach
  7. Encompassing receptor flexibility in virtual screening using ensemble docking-based hybrid QSAR: discovery of novel phytochemicals for BACE1 inhibition
  8. Insight into the anti-amyloidogenic activity of polyphenols and its application in virtual screening of phytochemical database
  9. Effect of β-cyclodextrin on the molecular properties of myricetin upon nano-encapsulation: Insight from optical spectroscopy and quantum chemical studies
  10. Pinpointing Proline Substitution to be Responsible for the Loss of Amyloidogenesis in IAPP
  11. Structural insights into Resveratrol’s antagonist and partial agonist actions on estrogen receptor alpha
  12. Biophysical Characterization of Genistein in Its Natural Carrier Human Hemoglobin Using Spectroscopic and Computational Approaches
  13. Contrasting binding of fisetin and daidzein in γ-cyclodextrin nanocavity
  14. Characterization of diadzein–hemoglobin binding using optical spectroscopy and molecular dynamics simulations
  15. A mechanistic insight into the amyloidogenic structure of hIAPP peptide revealed from sequence analysis and molecular dynamics simulation
  16. A critical study on the interactions of hesperitin with human hemoglobin: Fluorescence spectroscopic and molecular modeling approach
  17. Binding and antioxidant properties of therapeutically important plant flavonoids in biomembranes: Insights from spectroscopic and quantum chemical studies
  18. Encapsulation of 3-hydroxyflavone in γ-cyclodextrin nanocavities: Excited state proton transfer fluorescence and molecular docking studies
  19. Conformational transition in the substrate binding domain of β-secretase exploited by NMA and its implication in inhibitor recognition: BACE1–myricetin a case study
  20. Probing the interactions of hemoglobin with antioxidant flavonoids via fluorescence spectroscopy and molecular modeling studies
  21. Inclusion of chrysin in β-cyclodextrin nanocavity and its effect on antioxidant potential of chrysin: A spectroscopic and molecular modeling approach
  22. Encapsulation of serotonin in β-cyclodextrin nano-cavities: Fluorescence spectroscopic and molecular modeling studies