Thumb-loops up for catalysis: a structure/function investigation of a functional loop movement in a GH11 xylanase

@inproceedings{Pas2012ThumbloopsUF,
  title={Thumb-loops up for catalysis: a structure/function investigation of a functional loop movement in a GH11 xylanase},
  author={Gabriel Pa{\"e}s and Juan Cort{\'e}s and Thierry Sim{\'e}on and Michael O'donohue and Vinh Tran},
  booktitle={Computational and structural biotechnology journal},
  year={2012}
}
Dynamics is a key feature of enzyme catalysis. Unfortunately, current experimental and computational techniques do not yet provide a comprehensive understanding and description of functional macromolecular motions. In this work, we have extended a novel computational technique, which combines molecular modeling methods and robotics algorithms, to investigate functional motions of protein loops. This new approach has been applied to study the functional importance of the so-called thumb-loop in… CONTINUE READING
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