Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer [0.03%]
虚拟高效配体对接加速技术及其千万亿次超级计算机上的实现研究报告
Sally R Ellingson,Sivanesan Dakshanamurthy,Milton Brown et al.
Sally R Ellingson et al.
In this paper we give the current state of high-throughput virtual screening. We describe a case study of using a task-parallel MPI (Message Passing Interface) version of Autodock4 [1], [2] to run a virtual high-throughput screen of one-mil...
Optimization of a parallel permutation testing function for the SPRINT R package [0.03%]
SPRINT R包并行置换检验函数的优化
Savvas Petrou,Terence M Sloan,Muriel Mewissen et al.
Savvas Petrou et al.
The statistical language R and its Bioconductor package are favoured by many biostatisticians for processing microarray data. The amount of data produced by some analyses has reached the limits of many common bioinformatics computing infras...
A Comparison of Using Taverna and BPEL in Building Scientific Workflows: the case of caGrid [0.03%]
Taverna和BPEL在构建科学工作流程中的比较研究：以caGrid为例
Wei Tan,Paolo Missier,Ian Foster et al.
Wei Tan et al.
With the emergence of "service oriented science," the need arises to orchestrate multiple services to facilitate scientific investigation-that is, to create "science workflows." We present here our findings in providing a workflow solution ...