THUMB-LOOPS UP FOR CATALYSIS: A STRUCTURE/FUNCTION INVESTIGATION OF A FUNCTIONAL LOOP MOVEMENT IN A GH11 XYLANASE
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 inv