Welcome to the official blog of the Systems & Synthetic Biology Modelling Group, headed by Dr Syma Khalid, in Chemistry at the University of Southampton, UK.
We are a computational chemistry/biochemistry group with a core research interest in events that occur in, and around biological membranes.
Please see: http://www.personal.soton.ac.uk/sk2x07/index.php for our research pages.
This blog will provide the latest information regarding our research activities, some of our own publications, papers from other groups that have interested us and recent research areas that have caught our imagination. If this sounds interesting, then please do follow us!
Contact S.Khalid@soton for any thoughts or comments on this blog.
Free energy calculations: From theory to applications
June 4, 2012 to June 8, 2012
Location : Ecole des Ponts, Champs-sur-Marne, France.
This workshop featured talks from a combination of established high profile speakers as well as younger researchers.
A number of themes arose from this workshop, the overarching one being that there is still no ‘best way’ to calculate free energies from molecular simulations. Workshops like this, are essential in facilitating discussion and disseminating the latest findings. Given that new methods are being developed and refined, disseminating the latest progress in a timely fashion is of utmost importance.
A very useful resource from Michael Shirts’ lab:
Please contact Syma Khalid: S.Khalid@soton.ac.uk for further details
This free, one day workshop held in Cambridge was a successful first event for the EPSRC-funded CCPBioSim initiative. The 16 conference attendees had a busy day of learning theoretical aspects of running molecular dynamics simulations of soluble proteins, as well as hands-on practical work. The workshop was run by Dr Syma Khalid (Southampton) and Dr Peter Bond (Cambridge)