Modelling protein-carbohydrate recognition in-silico
Organised by the School of Biosciences
to be held at:
New Cavendish Campus, University of Westminster, London, UK
April 20th-April 24th 2009
Carbohydrates are important recognition molecules in cancer, cell biology, development and differentiation virology and microbiology. Understanding the physiochemical properties and mechanisms which provide cognate specificity and selectivity in protein-carbohydrate recognition can lead to the design of novel therapies by targeting glycosylation aberrancies resulting from human tissue pathology. Complex carbohydrate molecules which are carried on glycoproteins and glycolipids that are present, within the cell, in secretions and decorate the surface membrane of human tissue are thought to be dynamic in nature and therefore have the ability to occupy multiple conformations in time and space. Hence, a computational approach for developing models for protein-carbohydrate recognition is advantageous as it provides extensive ability to sample different carbohydrate conformations which are limited to some of the more conventional experimental approaches in biology. This approach can help to identify prerequisites in protein based-therapy design and parallel conventional wet laboratory based experimental approaches in vitro or in vivo.
Therefore the School of Biosciences and the Centre for Parallel Computing (CPC) will be hosting a joint introductory training workshop for bioscientists interested in building intuitive models of protein-carbohydrate interactions. The training will be led by
Dr. Ross Walker, SDSC, USA,
Dr. Michael Crowley, NREL, USA and
Dr. Martin Frank, GCRC, Germany.
Dr. Walker and Dr. Crowley are members of the development team for AMBER and CHARMM molecular dynamics packages and Dr. Frank has experience using AutoDock in modeling protein-carbohydrate recognition.
The workshop will train participants on how to use these programs to run in silico experiments. It will also teach bioscientists how to model carbohydrate binding proteins and their ligands on the UK National Grid Service (NGS) to decrease execution times of experiments using a web-based graphical user interface (GUI), which was developed within the framework of the ProSim project supported by the JISC Engage programme. (https://sites.google.com/a/staff.westminster.ac.uk/engage/Home).
Further information about the workshop including the registration page is available at
The deadline for registration is the 19th of March 2009.
For more information contact Dr. Pamela Greenwell (email@example.com).
Instructors: Ross Walker (RW), Michael Crowley (MC), Martin Frank (MF)
(L) = Lecture, (H) = Hands on Tutorial
Day 1 (Monday 20th April 2009)
Day 2 (Tuesday 21st April 2009)
Day 3 (Wednesday 22nd April 2009)
Day 4 (Thursday 23rd April 2009)
Day 5 (Friday 24rd April 2009)