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WSC
1998
15 years 7 months ago
Parallel Implementation of a Molecular Dynamics Simulation Program
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 ...
Alan Mink, Christophe Bailly
HPDC
2010
IEEE
15 years 7 months ago
Comparison of resource platform selection approaches for scientific workflows
Cloud computing is increasingly considered as an additional computational resource platform for scientific workflows. The cloud offers opportunity to scale-out applications from d...
Yogesh L. Simmhan, Lavanya Ramakrishnan
BMCBI
2010
153views more  BMCBI 2010»
15 years 6 months ago
GOAL: A software tool for assessing biological significance of genes groups
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...
BMCBI
2010
122views more  BMCBI 2010»
15 years 6 months ago
An automated framework for understanding structural variations in the binding grooves of MHC class II molecules
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...
BMCBI
2010
121views more  BMCBI 2010»
15 years 6 months ago
Knowledge-based annotation of small molecule binding sites in proteins
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...