So the next BioGeeks tech meet will be on January 27th at Imperial College London at 6pm.
Multi-scale computational protein design
James MacDonald, Imperial College London
Efficiently exploring protein structure/sequence space is difficult due to the astronomical number of variables. In the case of computational enzyme design one wants to fit a given constellation of functional group residues onto a protein scaffold. I introduce a method I have been developing to explore conformational space on multiple levels of detail while annealing an “active site” on to a scaffold.
Poing: a coder’s take on protein modelling
Ben Jeffreys, Imperial College
Poing is a protein structure and folding model, designed to predict the tertiary structure of a protein from its sequence. I’ve been developing Poing for five years, after moving into computational biology from a background in software engineering. I’ve tried to keep the engineering ethos whilst dealing with the vagaries of scientific enquiry. My talk will focus on the engineering aspect, and how I’ve used a combination of C++, Python, various Python libraries, Subversion and server farms to produce a fairly slick workflow for both software engineering and developing and using the protein structure model. I will also talk about what I would have done differently with the benefit of hindsight.
Slides from Ben’s talk
Bioinformatics in the cloud
Peter Clarke, NUI Maynooth
Thursday 27th January