Background: Graph theory provides a computational framework for modeling a variety of datasets including those emerging from genomics, proteomics, and chemical genetics. Networks ...
Joshua J. Forman, Paul A. Clemons, Stuart L. Schre...
Background: Complex biological database systems have become key computational tools used daily by scientists and researchers. Many of these systems must be capable of executing on...
Marko Srdanovic, Ulf Schenk, Michael Schwieger, Fa...
Background: Protein kinases are a well defined family of proteins, characterized by the presence of a common kinase catalytic domain and playing a significant role in many importa...
Background: This study concerns the development of a high performance workflow that, using grid technology, correlates different kinds of Bioinformatics data, starting from the ba...
Ivan Merelli, Giulia Morra, Daniele D'Agostino, An...
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...