Background: Recent advances with high-throughput methods in life-science research have increased the need for automatized data analysis and visual exploration techniques. Sophisti...
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. ...
ABSTRACT. Objectives. This paper addresses Grid-based integration and access of distributed data from infectious disease patient databases, literature on in-vitro and in-vivo pharm...
Peter M. A. Sloot, Alexander Boukhanovsky, Wilco K...
Code synthesis is routinely used in industry to generate GUIs, form lling applications, and database support code and is even used with COBOL. In this paper we consider the questi...
Wray L. Buntine, Bernd Fischer 0002, Thomas Pressb...
Many useful applications of simulation in computational cell biology, e.g. kinetic parameter estimation, Metabolic Control Analysis (MCA), and bifurcation analysis, require a large...