Advanced search×
  1. Turn plasticity distinguishes different modes of amyloid-β aggregation.

    Journal of the American Chemical Society 136(13):4913 (2014) PMID 24617810

    Pathogenesis of Alzheimer's disease (AD) is associated with aggregation of the amyloid-β (Aβ) peptide into oligomeric and fibrillar assemblies; however, little is known about the molecular basis of aggregation of Aβ into distinct assembly states. Here we demonstrate that phosphorylation at serin...
  2. Molecular Interaction Between PPTI and Shakv1.1 Potassium Channel Explored by Docking and Molecular Dynamics Simulation

    Biophysical Journal 106(2):479a (2014)

  3. How modification of accessible lysines to phenylalanine modulates the structural and functional properties of horseradish peroxidase: a simulation study.

    PLoS ONE 9(10):e109062 (2014) PMID 25313804 PMCID PMC4196758

    Horseradish Peroxidase (HRP) is one of the most studied peroxidases and a great number of chemical modifications and genetic manipulations have been carried out on its surface accessible residues to improve its stability and catalytic efficiency necessary for biotechnological applications. Most ...
  4. Nanomechanical properties of lipid bilayer: asymmetric modulation of lateral pressure and surface tension due to protein insertion in one leaflet of a bilayer.

    Journal of Chemical Physics 138(6):065101 (2013) PMID 23425492

    The lipid membranes of living cells form an integral part of biological systems, and the mechanical properties of these membranes play an important role in biophysical investigations. One interesting problem to be evaluated is the effect of protein insertion in one leaflet of a bilayer on the ph...
  5. Evaluation of Inhibitory Effects of Some Natural Products on Tyrosinase Activity by Experimental and Computational Methods

    Biophysical Journal 104(2):232a (2013)

  6. A molecular dynamics simulation study of nanomechanical properties of asymmetric lipid bilayer.

    Journal of Membrane Biology 246(1):67 (2013) PMID 23073731

    A very important part of the living cells of biological systems is the lipid membrane. The mechanical properties of this membrane play an important role in biophysical studies. Investigation as to how the insertion of additional phospholipids in one leaflet of a bilayer affects the physical prop...
  7. Fibrillation of alpha-lactalbumin: effect of crocin and safranal, two natural small molecules from Crocus sativus.

    Biopolymers 93(10):854 (2010) PMID 20564050

    Formation of toxic amyloid structures is believed to be associated with various late-onset neurodegenerative disorders such as Alzheimer's and Parkinson's diseases. The fact that many proteins in addition to those that are associated with clinical conditions have the potential to form amyloid fi...
  8. Surface Modification Affects the Heme Planarity and Accessibility in Horseradish Peroxidase

    Biophysical Journal 96(3):581a (2009)

  9. Structural Evaluation of the Effects of Disulfide Bond Eliminations on Scorpion Toxin κ-Hefutoxin1 fromHeterometrus Fulvipes

    Biophysical Journal 96(3):69a (2009)

  10. Conformational changes of alpha-chymotrypsin in a fibrillation-promoting condition: a molecular dynamics study.

    Biophysical Journal 95(9):4139 (2008) PMID 18658209 PMCID PMC2567952

    Amyloid nanofibril formation appears to be a generic property of polypeptide chains. alpha-Chymotrypsin (aCT) was recently driven toward amyloid-like aggregation by the addition of trifluoroethanol (TFE) at intermediate concentrations. In this study we employed a molecular dynamics simulation to...