All Stories

  1. EGCG inhibits the oligomerization of amyloid beta (16-22) hexamer: Theoretical studies
  2. Determination of the absolute binding free energies of HIV-1 protease inhibitors using non-equilibrium molecular dynamics simulations
  3. Fast pulling of ligand approach for the design of β-secretase 1 inhibitors
  4. Replica exchange molecular dynamics study of the truncated amyloid beta (11–40) trimer in solution
  5. Replica exchange molecular dynamics study of the amyloid beta (11–40) trimer penetrating a membrane
  6. In silico studies of solvated F19W amyloid β (11–40) trimer
  7. Fast and accurate determination of the relative binding affinities of small compounds to HIV-1 protease using non-equilibrium work
  8. Theoretical study of the interactions between the first transmembrane segment of NS2 protein and a POPC lipid bilayer
  9. Anti-arrhythmic Medication Propafenone a Potential Drug for Alzheimer’s Disease Inhibiting Aggregation of Aβ: In Silico and in Vitro Studies
  10. Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method
  11. Effect of the Tottori Familial Disease Mutation (D7N) on the Monomers and Dimers of Aβ40 and Aβ42
  12. Oligomerization of Peptides LVEALYL and RGFFYT and Their Binding Affinity to Insulin
  13. Top-leads from natural products for treatment of Alzheimer's disease: docking and molecular dynamics study
  14. In silico and in vitro characterization of anti-amyloidogenic activity of vitamin K3 analogues for Alzheimer's disease
  15. Computational Study of Diseases Associated with Protein Aggregation
  16. Curcumin Binds to Aβ1–40Peptides and Fibrils Stronger Than Ibuprofen and Naproxen
  17. Inhibition of Aggregation of Amyloid Peptides by Beta-Sheet Breaker Peptides and Their Binding Affinity