PRUNE and PROBE-two modular web services for protein-protein docking

The protein-protein docking programs typically perform four major tasks: (i) generation of docking poses, (ii) selecting a subset of poses, (iii) their structural refinement and (iv) scoring, ranking for the final assessment of the true quaternary structure. Although the tasks can be integrated or performed in a serial order, they are by nature modular, allowing an opportunity to substitute one algorithm with another. We have implemented two modular web services, (i) PRUNE: to select a subset of docking poses generated during sampling search (http://pallab.serc.iisc.ernet.in/prune) and (ii) PROBE: to refine, score and rank them (http://pallab.serc.iisc.ernet.in/probe). The former uses a new interface area based edge-scoring function to eliminate > 95% of the poses generated during docking search. In contrast to other multi-parameter-based screening functions, this single parameter based elimination reduces the computational time significantly, in addition to increasing the chances of selecting native-like models in the top rank list. The PROBE server performs ranking of pruned poses, after structure refinement and scoring using a regression model for geometric compatibility, and normalized interaction energy. While web-service similar to PROBE is infrequent, no web-service akin to PRUNE has been described before. Both the servers are publicly accessible and free for use.

An intelligent procurement marketplace for web services composition

This paper presents an intelligent procurement marketplace for finding the best mix of web services to dynamically compose the business process desired by a web service requester. We develop a combinatorial auction approach that leads to an integer programming formulation for the web services composition problem. The model takes into account the Quality of Service (QoS) and Service Level Agreements (SLA) for differentiating among multiple service providers who are capable of fulfilling a functionality. An important feature of the model is interface aware composition.

Disseminação de dados estatísticos georeferenciados através de WEB services e software livre.

Diferentes organizações públicas e privadas coletam e disponibilizam uma massa de dados sobre a realidade sócio-econômica das diferentes nações. Há hoje, da parte do governo brasileiro, um interesse manifesto de divulgar uma gama diferenciada de informações para os mais diversos perfis de usuários. Persiste, contudo, uma série de limitações para uma divulgação mais massiva e democrática, entre elas, a heterogeneidade das fontes de dados, sua dispersão e formato de apresentação pouco amigável. Devido à complexidade inerente à informação geográfica envolvida, que produz incompatibilidade em vários níveis, o intercâmbio de dados em sistemas de informação geográfica não é problema trivial. Para aplicações desenvolvidas para a Web, uma solução são os Web Services que permitem que novas aplicações possam interagir com aquelas que já existem e que sistemas desenvolvidos em plataformas diferentes sejam compatíveis. Neste sentido, o objetivo do trabalho é mostrar as possibilidades de construção de portais usando software livre, a tecnologia dos Web Services e os padrões do Open Geospatial Consortium (OGC) para a disseminação de dados espaciais. Visando avaliar e testar as tecnologias selecionadas e comprovar sua efetividade foi desenvolvido um exemplo de portal de dados sócio-econômicos, compreendendo informações de um servidor local e de servidores remotos. As contribuições do trabalho são a disponibilização de mapas dinâmicos, a geração de mapas através da composição de mapas disponibilizados em servidores remotos e local e o uso do padrão OGC WMC. Analisando o protótipo de portal construído, verifica-se, contudo, que a localização e requisição de Web Services não são tarefas fáceis para um usuário típico da Internet. Nesta direção, os trabalhos futuros no domínio dos portais de informação geográfica poderiam adotar a tecnologia Representational State Transfer (REST).

Uso de web services e softwares livres na disseminação de informações georreferenciadas sobre produtos da floresta amazônica.

Georreferenced information has been increasingly required for the planning and decision-making in different sectors of society. New ways of dissemination of data, such as the Open Geospatial Consortium (OGC) web services, have contributed to the ease of access to this information. Even with all the technological advances in the area of data distribution, there is still low availability of georreferenced data about the Amazon. The goal of the present work is the development of a spatial data infrastructure (SDI), that is, an environment of sharing and use of georreferenced data based on the technology of web services, metadata and interfaces that allow the user easy access to these data. The present work discussess the OGC patterns, the most relevant georeferrenced data servers, the main web clients, and the revolution in the dissemination of georeferrenced data which geobrowsers and web clients offered to regular users. Data to be released for the case study come from the project Exploitation of Non-wooden Forest Products-PFNM-in progress at the National Institute of Research in the Amazon-INPA-as well as from inventories of NGOs and other government bodies. Besides contributing to the enhancement of PFNM, this project aims at encouraging the use of GIS in the state of Amazonas offering tech support for the deployment of geographic databases and sharing between agencies, optimizing the resources applied in this area through the use of free software and integration of diffuse information currently available.

Performance assessment of XACML authorizations for supply chain traceability web services

Service-Oriented Architecture (SOA) and Web Services (WS) offer advanced flexibility and interoperability capabilities. However they imply significant performance overheads that need to be carefully considered. Supply Chain Management (SCM) and Traceability systems are an interesting domain for the use of WS technologies that are usually deemed to be too complex and unnecessary in practical applications, especially regarding security. This paper presents an externalized security architecture that uses the eXtensible Access Control Markup Language (XACML) authorization standard to enforce visibility restrictions on trace-ability data in a supply chain where multiple companies collaborate; the performance overheads are assessed by comparing 'raw' authorization implementations - Access Control Lists, Tokens, and RDF Assertions - with their XACML-equivalents. © 2012 IEEE.

基于XML/Web Services的月球探测数据管理与集成技术研究

随着网络技术、特别是Internet技术的发展，分布式系统的高睦能、高可靠性、高灵敏度、可扩展性和系统透明性使得基于分布式系统的应用越来越广泛。在分布式坏境下，信息系统的集成是必须认真考虑的问题。研究如何集成和统一访问分布的、异构的数据资源，实现各种数据的转换、交流与共享；以及如何建立一个开放、可扩展和异构兼容的新一代信息管理系统成为当今网络应用的重要研究方向。本文针对建立月球探测数据管理和集成系统的数据集成与操作集成两方面的内容，重点分析和研究了数据存储管理和系统集成技术，结合月球探测数据管理的应用集成需求与特点提出了基于XML技术的数据存储与管理和基于Web Service技术的系统集成方案。并利用XML／WebService技术基于Net平台开发了一个月球探测数据管理与集成系统实例。研究内容主要包括以下四个方面： （1）基于XML的数据模型与数据库存储。利用XML的自描述性、独立于平台和应用、半结构化，机器可处理、可扩展性以及便于网络传输和广泛支持的特性，实现了基于关系数据库的XML数据存储。对系统中的结构化和非结构化数据信息、都进行了XML标记定义，实现了信息存储和查询的小粒度，增强了数据的表示、查询、插入和删除等数据处理能力和效率。同时，利用XML作为月球探测数据交换和信息传输的格式，也为实现与异构系统数据的互操作提供了理想的角军决方案。（2）基于WebServices的分布式信息系统集成的体系结构。在对XML、SOAP、WSDL和UDDI关键技术和标准规范进行研究与探讨基础上，针对绕月探测数据管理的需求提出了基于XML／Web Service的三层分布式结构模型。分别是表示层、应用逻辑层、服务端数据层。实现了系统功能的可迁移性和可装配性、各层间传输过程中数据流的XML化、接口定义的动态性。与传统技术开发的耦合的分布式应用系统相比，系统在跨平台性、可配置性、可伸缩性、可维护性等方面都有了大幅度的提高。（3）基于，NET平台系统的开发与实现。深入分析和研究了Mic1’osoft．NET平台的核心技术与整体技术框架，在VisLla1Sttldio．NET开发环境中利用C＃、ASP．NET、ADO．NET基于关系型数据库Oracle9i开发实现了统一身份认证系统和月球探测数据管理与集成系统。统一身份认证系统是一个通用的统一用户身份认证管理系统，包括用户管理、身份验证、实体管理、日志监控和消息、管理等功能，达到了一次登录，所有系统共用的目的。月球探测数据管理与集成系统包括数据管理、信息发布、系统管理、综合查询和应用集成五大功能模块，相对于原来的紧祸合的应用系统而言，系统的开发效率、重用性、祸合度、灵活性和自适 应性都有了很大的提高。（4）基于XML／WebServices的动态系统集成。分析了传统分布式对象模型在异构环境集成的弊端，基于XML、SOAP和WSDL等技术规范基础上，实现了统一身份认证系统、月球探测数据管理与集成系统、小空间碎片数据库系统以及其它语言开发的应用系统的信息集成、实现了资源时空的有效整合。通过这些集成应用实例，充分体现和说明了Web Services技术在应用系统集成方面的优越性。本研究的成果，也将为地球化学研究领域涉及海量数据的处理、管理和系统集成提供示范实例，推动地球化学数据的融合和综合应用。

Towards the design of a portal framework for web services integration

Web services based systems have recently found their way into many applications such as e-commerce, corporate integration and e-learning. Construction of new services or introducing new functions to existing services requires composition of web services. Current approaches to service composition often require major programming effort; this is time consuming and requires considerable developer expertise. In this paper, we explore the real and rich scenarios found in e-learning where education services are offered through the Internet by networked universities to potentially millions in the world. These services are derived from existing/emerging business operation processes and commonly offered through a web interface, combined with other services such as email and ftp services, to support partial/full business processes. We identify the requirements for a generic portal framework for easy integration of existing expertise and services of individual institutions (enterprises). We examine the existing technologies and standards, and point out the gaps to be filled in designing the architecture of the framework

'Re-using an existing wheel' developing data architecture for cooperating autonomous and semi-autonomous, agent-based web services

This short position paper considers issues in developing Data Architecture for the Internet of Things (IoT) through the medium of an exemplar project, Domain Expertise Capture in Authoring and Development ­Environments (DECADE). A brief discussion sets the background for IoT, and the development of the ­distinction between things and computers. The paper makes a strong argument to avoid reinvention of the wheel, and to reuse approaches to distributed heterogeneous data architectures and the lessons learned from that work, and apply them to this situation. DECADE requires an autonomous recording system, ­local data storage, semi-autonomous verification model, sign-off mechanism, qualitative and ­quantitative ­analysis ­carried out when and where required through web-service architecture, based on ontology and analytic agents, with a self-maintaining ontology model. To develop this, we describe a web-service ­architecture, ­combining a distributed data warehouse, web services for analysis agents, ontology agents and a ­verification engine, with a centrally verified outcome database maintained by certifying body for qualification/­professional status.

Reasoning about orchestrations of web services using partial correctness

A service is a remote computational facility which is made available for general use by means of a wide-area network. Several types of service arise in practice: stateless services, shared state services and services with states which are customised for individual users. A service-based orchestration is a multi-threaded computation which invokes remote services in order to deliver results back to a user (publication). In this paper a means of specifying services and reasoning about the correctness of orchestrations over stateless services is presented. As web services are potentially unreliable the termination of even finite orchestrations cannot be guaranteed. For this reason a partial-correctness powerdomain approach is proposed to capture the semantics of recursive orchestrations.

Web Services and Incerta Spiriti: A Game Theoretic Approach to Uncertainty

A web-service is a remote computational facility which is made available for general use by means of the internet. An orchestration is a multi-threaded computation which invokes remote services. In this paper game theory is used to analyse the behaviour of orchestration evaluations when underlying web-services are unreliable. Uncertainty profiles are proposed as a means of defining bounds on the number of service failures that can be expected during an orchestration evaluation. An uncertainty profile describes a strategic situation that can be analyzed using a zero-sum angel-daemon game with two competing players: an angel a whose objective is to minimize damage to an orchestration and a daemon d who acts in a destructive fashion. An uncertainty profile is assessed using the value of its angel daemon game. It is shown that uncertainty profiles form a partial order which is monotonic with respect to assessment.