Optimal Estimation of the Roughness Coefficient and Friction Factor of a Pipeline

This work addresses the estimation of two interrelated parameters of the fluid flow in pipes. First, a numerical and experimental evaluation of some proposed methods to compute the friction factor in turbulent regime is presented. Special attention is given to an explicit solution obtained through the Lambert W-function. Subsequently, a method to estimate the roughness coefficient using nonlinear optimization techniques is proposed, which then allows determining the friction factor from it. Numerical tests were performed for a wide range of operating points of a pipeline. In order to validate the proposed approach, experimental analysis was carried out on a pipeline pilot-plant. The results show the applicability and effectiveness of the proposed method.

Developing science gateways for drug discovery in a grid environment

Methods for in-silico screening of large databases of molecules increasingly complement and replace experimental techniques to discover novel compounds to combat diseases. As these techniques become more complex and computationally costly we are faced with an increasing problem to provide the research community of life-sciences with a convenient tool for high-throughput virtual screening (HTVS) on distributed computing resources. To this end, we recently integrated the biophysics-based drug screening program FlexScreen into a service applicable for large-scale parallel screening and reusable in the context of scientific workflows. Our implementation, based on Pipeline Pilot and Simple Object Access Protocol (SOAP) provides an easy-to-use graphical user interface to construct complex workflows which can be executed on distributed computing resources, thus accelerating the throughput by several orders of magnitude.

Developing science gateways for drug discovery in a grid environment

Methods for in-silico screening of large databases of molecules increasingly complement and replace experimental techniques to discover novel compounds to combat diseases. As these techniques become more complex and computationally costly we are faced with an increasing problem to provide the research community of life-sciences with a convenient tool for high-throughput virtual screening (HTVS) on distributed computing resources. To this end, we recently integrated the biophysics-based drug screening program FlexScreen into a service applicable for large-scale parallel screening and reusable in the context of scientific workflows. Our implementation, based on Pipeline Pilot and Simple Object Access Protocol (SOAP) provides an easy-to-use graphical user interface to construct complex workflows which can be executed on distributed computing resources, thus accelerating the throughput by several orders of magnitude.

Information Analysis in Digital Library Environments

This chapter addresses the question of how the analysis of results retrieved from online bibliographic information systems changed over the last 32 years as digital libraries have evolved. It demonstrates that Digital Libraries of the future will enable knowledge discovery by providing direct access to the semantic content of documents through the implementation of text mining tools. To achieve this research with IR systems and text-mining tools, pipeline pilot (Bandy, et al., 2009), I2E (Vellay, 2009), and BioText will need to be conducted by experts in information retrieval not just subject scientific specialists.