Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening

The cysteine protease cathepsin S (CatS) is involved in the pathogenesis of autoimmune disorders, atherosclerosis, and obesity. Therefore, it represents a promising pharmacological target for drug development. We generated ligand-based and structure-based pharmacophore models for noncovalent and covalent CatS inhibitors to perform virtual high-throughput screening of chemical databases in order to discover novel scaffolds for CatS inhibitors. An in vitro evaluation of the resulting 15 structures revealed seven CatS inhibitors with kinetic constants in the low micromolar range. These compounds can be subjected to further chemical modifications to obtain drugs for the treatment of autoimmune disorders and atherosclerosis.

Providing QoS for networked peers in distributed haptic virtual environments

Haptic information originates from a different human sense (touch), therefore the quality of service (QoS) required to supporthaptic traffic is significantly different from that used to support conventional real-time traffic such as voice or video. Each type ofnetwork impairment has different (and severe) impacts on the user’s haptic experience. There has been no specific provision of QoSparameters for haptic interaction. Previous research into distributed haptic virtual environments (DHVEs) have concentrated onsynchronization of positions (haptic device or virtual objects), and are based on client-server architectures.We present a new peerto-peer DHVE architecture that further extends this to enable force interactions between two users whereby force data are sent tothe remote peer in addition to positional information. The work presented involves both simulation and practical experimentationwhere multimodal data is transmitted over a QoS-enabled IP network. Both forms of experiment produce consistent results whichshow that the use of specific QoS classes for haptic traffic will reduce network delay and jitter, leading to improvements in users’haptic experiences with these types of applications.

A virtual inspection framework for precision manufacturing of aerofoil components

The finite element method plays an extremely important role in forging process design as it provides a valid means to quantify forging errors and thereby govern die shape modification to improve the dimensional accuracy of the component. However, this dependency on process simulation could raise significant problems and present a major drawback if the finite element simulation results were inaccurate. This paper presents a novel approach to assess the dimensional accuracy and shape quality of aeroengine blades formed from finite element hot-forging simulation. The proposed virtual inspection system uses conventional algorithms adopted by modern coordinate measurement processes as well as the latest free-form surface evaluation techniques to provide a robust framework for virtual forging error assessment. Established techniques for the physical registration of real components have been adapted to localise virtual models in relation to a nominal Design Coordinate System. Blades are then automatically analysed using a series of intelligent routines to generate measurement data and compute dimensional errors. The results of a comparison study indicate that the virtual inspection results and actual coordinate measurement data are highly comparable, validating the approach as an effective and accurate means to quantify forging error in a virtual environment. Consequently, this provides adequate justification for the implementation of the virtual inspection system in the virtual process design, modelling and validation of forged aeroengine blades in industry.

Network Based Malware Detection in Virtualised Environment

While virtualisation can provide many benefits to a networks infrastructure, securing the virtualised environment is a big challenge. The security of a fully virtualised solution is dependent on the security of each of its underlying components, such as the hypervisor, guest operating systems and storage.

This paper presents a single security service running on the hypervisor that could potentially work to provide security service to all virtual machines running on the system. This paper presents a hypervisor hosted framework which performs specialised security tasks for all underlying virtual machines to protect against any malicious attacks by passively analysing the network traffic of VMs. This framework has been implemented using Xen Server and has been evaluated by detecting a Zeus Server setup and infected clients, distributed over a number of virtual machines. This framework is capable of detecting and identifying all infected VMs with no false positive or false negative detection.

The Use of Audio Podcasts to Enhance the Delivery of a Computer Networks Course

Experience obtained in the support of mobile learning using podcast audio is reported. The paper outlines design, storage and distribution via a web site. An initial evaluation of the uptake of the approach in a final year computing module was undertaken. Audio objects were tailored to meet different pedagogical needs resulting in a repository of persistent glossary terms and disposable audio lectures distributed by podcasting. An aim of our approach is to document the interest from the students, and evaluate the potential of mobile learning for supplementing revision