We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...
Cloud computing is increasingly considered as an additional computational resource platform for scientific workflows. The cloud offers opportunity to scale-out applications from d...
Background: Modern high throughput experimental techniques such as DNA microarrays often result in large lists of genes. Computational biology tools such as clustering are then us...
Alain B. Tchagang, Alexander Gawronski, Hugo B&eac...
Background: MHC/HLA class II molecules are important components of the immune system and play a critical role in processes such as phagocytosis. Understanding peptide recognition ...
Kalidas Yeturu, Tapani Utriainen, Graham J. L. Kem...
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...