Moving a molecule: Kinematic sampling of RNA molecular structures

DIKU Talk by Postdoc Rasmus Fonseca.

After the talk there will be time for questions and discussion.


The biological functions of molecules such as RNAs and proteins are mediated by the way they twist, open, or close to fit together and interact with other molecules. Computationally characterizing these motions is of vast importance in structural biology, but given the number of atoms and interactions in most molecules, also a very challenging problem. We have developed a kinematic representation of RNA and proteins based on theory from robotics to model the dynamic properties of biomolecules. By using inverse kinematics our system can efficiently perform large conformational motions without breaking closure constraints such as hydrogen- or disulphide bonds. In this talk we briefly present the underlying theory and then illustrate the advances and results we have obtained.

About Rasmus Fonseca

Rasmus Fonseca is currently a Postdoc employed at the INRIA Saclay center in the AMIB group as a part of the ITSNAP project. He took his PhD at DIKU working with the protein structure prediction problem.