Haptic Interactive Molecular Docking Software

Masters Dissertation Project. Grade: 77.95% (FIRST CLASS)

My Masters year project was to develop a piece of software as part of a team to simulate molecular docking of molecules. Molecular Docking involves positioning at least two molecules together to form a suitable best 'fit' complex. The software created allowed for the ability to load data files from the Protein Data Bank and see a visual representation of the molecules. These molecules can be moved and collide with other, together with interaction with a haptic feedback device. Realistic approximates of the force acting between the molecules are also calculated and force feedback provided to the user. The project involved C# development for the main application using OpenTK for OpenGL functionality and custom molecular DLL libraries.

Demonstration Presentation:

Download the final application here: Interactive Molecular Docking Application

Source Code Repository: https://bitbucket.org/Thomaslinstead/mcompproj/src/

By Thomas Linstead, Adam Aldridge, John Gilbey and Sam Westlake.

Programming Languages: C#, OpenTK (OpenGL), C++ (Dll).
2014-05-23

Global Illumination: Can it be Achieved in Real-Time? Research Paper

Research Methods Module. Grade: 75.00% (FIRST CLASS)

Conducted research and wrote a paper looking into the the field of Global Illumination. This report describes the different methods and techniques of implementing global illumination. The techniques such as rasterisation, ray tracing, path tracing and radiosity are compared and the real-time possibilities explored.

By Thomas Linstead.

Programming Languages:
2013-10-28

Real-Time Ray Tracing Project

Undergraduate Third Year Dissertation Project. Grade: 76.60% (FIRST CLASS)

3rd year dissertation project on the topic of Ray Tracing. An alternative computer rendering technique for producing high quality computer images. By simulating the physics of light this technique produces a 3D environment exhibiting refractions and reflections. I have worked on producing a real-time interactive application through utilising the power of graphics hardware with OpenCL.

Dissertation:

View a clip of the application here: Real-Time Ray Tracing Application

By Thomas Linstead.

Programming Languages: C++, OpenGL, OpenCL
2013-05-24

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