We are developing the'Protein Explorer'system, a petaflops special-purpose computer
system for molecular dynamics simulations. The Protein Explorer is a PC cluster equipped …

Ligand-activated and tyrosine-phosphorylated ErbB3 receptor binds to the SH2 domain of
the p85 subunit of phosphatidylinositol 3-kinase and initiates intracellular signaling. Here …

To date, there is little structural data available on the AGAAAAGA palindrome in the
hydrophobic region (113–120) of prion proteins, although many experimental studies have …

Activated receptor tyrosine kinases bind the Shc adaptor protein through its N-terminal
phosphotyrosine-binding (PTB) and C-terminal Src homology 2 (SH2) domains. After …

Molecular dynamics simulations have been performed under periodic boundary conditions
and using four non-periodic solvation models. The biomolecular probe in these simulations …

An image is represented by the Voronoi tessellation generated from selected sampling
points. Using a multiresolution approach, the density of the sampling points can be adaptive …

The single point mutation F198S in prion protein can induce aberrant 3-dimensional
structure which finally lead to serious disease. One of the most significant differences …

Two molecular dynamics (MD) simulations totaling 25 ns of simulation time of monomeric
scytalone dehydratase (SD) were performed. The enzyme has a ligand-binding pocket …

A thermophilic Bacillus stearothermophilus F1 produces an extremely thermostable serine
protease. The F1 protease sequence was used to predict its three-dimensional (3D) …

The nanoscale peptide YSGVCHTDLHAWHGDWPLPVK exhibits molecular chaperone
activity and prevents protein aggregation under chemical and/or thermal stress. Here, His …