High Throughput Virtual Screening with Data Level Parallelism in Multi-core Processors

Improving the throughput of molecular docking, a computationally intensive phase of the virtual screening process, is a highly sought area of research since it has a significant weight in the drug designing process. With such improvements, the world might find cures for incurable diseases like HIV disease and Cancer sooner. Our approach presented in this paper is to utilize a multi-core environment to introduce Data Level Parallelism (DLP) to the Autodock Vina software, which is a widely used for molecular docking software. Autodock Vina already exploits Instruction Level Parallelism (ILP) in multi-core environments and therefore optimized for such environments. However, with the results we have obtained, it can be clearly seen that our approach has enhanced the throughput of the already optimized software by more than six times. This will dramatically reduce the time consumed for the lead identification phase in drug designing along with the shift in the processor technology from multi-core to many-core of the current era. Therefore, we believe that the contribution of this project will effectively make it possible to expand the number of small molecules docked against a drug target and improving the chances to design drugs for incurable diseases.Comment: Information and Automation for Sustainability (ICIAfS), 2012 IEEE 6th International Conference o

Learning design – making practice explicit

New technologies have immense potential for learning, but the sheer variety possible also creates challenges for learners in terms of navigating through an increasingly complex digital landscape and for teachers in terms of how to design and support learning interventions. How can learners and teachers make informed decisions about what technologies to use in the design and support of learning activities? This presentation will consider this question and present a new methodology for design – 'learning design', which aims to shift the creation and support of learning from what has traditionally been an implicit, belief-based practice to one that is explicit and design based. Learning design research at the Open University, UK has included the development of a set of conceptual design views, a tool for visualising designs (CompendiumLD) and a social networking site, for sharing and discussing learning and teaching ideas and designs (Cloudworks). An overview of this work will be provided, along with a discussion of the perceived benefits of this new approach to educational design

Student Attitude to Audio Versus Written Feedback

First year Biology at the University of Glasgow consists of two courses, 1A and 1B, with an annual intake of 750-800 students. Both courses consist of lectures, practical lab sessions, tutorials and discussion groups. With such large numbers of students, teaching methods and delivery continually change and develop to ensure best delivery of the course content. As such, assessment and feedback systems also need to remain current and accessible to all. Timely, instructive and developmental feedback on student work is arguably the most powerful single influence on a student’s ability to learn. As part of the transition from school into university, feedback is a recognised method of maximising student potential (Hattie and Timperley, 2007). Research shows that increasing student numbers and associated rise in marking workloads, means that feedback can be slow in returning to the student and lacking quality/detail (Glover and Brown, 2006). From the markers perspective there is some evidence that students fail to engage with, misinterpret or ignore written feedback. We have carried out a pilot study to apply, and attempt to build upon, principles of good feedback practice to the assessment of coursework. To do this, an essay assignment was submitted online by Biology 1A students, marked and written feedback provided to all. A randomly selected group of students (10% of the cohort) also received audio feedback (electronic audio files were imbedded into the student work and returned to them by e-mail) on their submitted work. All students then completed an anonymous ‘Feedback’ questionnaire detailing their experiences with the feedback they received, with additional questions that were answered solely by the ‘audio group’ asking more specific questions about the effectiveness of the audio feedback. To carry out this study, new technologies were utilised and these will be demonstrated at the meeting along with the study conclusions. Hattie, J. and Timperley, H. (2007) The power of feedback. Review of Educational Research, 77, 81–112 Glover, C. and Brown, E. (2006). Written Feedback for Students: too much, too detailed or too incomprehensible to be effective? Bioscience Education, 7

Tangible user interfaces : past, present and future directions

In the last two decades, Tangible User Interfaces (TUIs) have emerged as a new interface type that interlinks the digital and physical worlds. Drawing upon users' knowledge and skills of interaction with the real non-digital world, TUIs show a potential to enhance the way in which people interact with and leverage digital information. However, TUI research is still in its infancy and extensive research is required in or- der to fully understand the implications of tangible user interfaces, to develop technologies that further bridge the digital and the physical, and to guide TUI design with empirical knowledge. This paper examines the existing body of work on Tangible User In- terfaces. We start by sketching the history of tangible user interfaces, examining the intellectual origins of this field. We then present TUIs in a broader context, survey application domains, and review frame- works and taxonomies. We also discuss conceptual foundations of TUIs including perspectives from cognitive sciences, phycology, and philoso- phy. Methods and technologies for designing, building, and evaluating TUIs are also addressed. Finally, we discuss the strengths and limita- tions of TUIs and chart directions for future research

Proceedings of the ECCS 2005 satellite workshop: embracing complexity in design - Paris 17 November 2005

Embracing complexity in design is one of the critical issues and challenges of the 21st century. As the realization grows that design activities and artefacts display properties associated with complex adaptive systems, so grows the need to use complexity concepts and methods to understand these properties and inform the design of better artifacts. It is a great challenge because complexity science represents an epistemological and methodological swift that promises a holistic approach in the understanding and operational support of design. But design is also a major contributor in complexity research. Design science is concerned with problems that are fundamental in the sciences in general and complexity sciences in particular. For instance, design has been perceived and studied as a ubiquitous activity inherent in every human activity, as the art of generating hypotheses, as a type of experiment, or as a creative co-evolutionary process. Design science and its established approaches and practices can be a great source for advancement and innovation in complexity science. These proceedings are the result of a workshop organized as part of the activities of a UK government AHRB/EPSRC funded research cluster called Embracing Complexity in Design (www.complexityanddesign.net) and the European Conference in Complex Systems (complexsystems.lri.fr). Embracing complexity in design is one of the critical issues and challenges of the 21st century. As the realization grows that design activities and artefacts display properties associated with complex adaptive systems, so grows the need to use complexity concepts and methods to understand these properties and inform the design of better artifacts. It is a great challenge because complexity science represents an epistemological and methodological swift that promises a holistic approach in the understanding and operational support of design. But design is also a major contributor in complexity research. Design science is concerned with problems that are fundamental in the sciences in general and complexity sciences in particular. For instance, design has been perceived and studied as a ubiquitous activity inherent in every human activity, as the art of generating hypotheses, as a type of experiment, or as a creative co-evolutionary process. Design science and its established approaches and practices can be a great source for advancement and innovation in complexity science. These proceedings are the result of a workshop organized as part of the activities of a UK government AHRB/EPSRC funded research cluster called Embracing Complexity in Design (www.complexityanddesign.net) and the European Conference in Complex Systems (complexsystems.lri.fr)

Emerging technologies for learning (volume 1)

Collection of 5 articles on emerging technologies and trend