Distinguishing between induced fit and conformational selection with the Torsional Network Model

Javier Klett

CSIC-UAM, Centro de Biologïa Molecular "Severo Ochoa", Bioinformatic Unit, Madrid, Spain

Since the first studies on protein dynamics, it has been of interest how this event occurs upon ligand binding. Nowadays, apart form the classic "lock and key" paradigm, two new paradigms are under debate: conformational selection and induced fit models.[1][2] In our work we aim to propose a way to distinguish whether protein motion is accounted by any of these two paradigms using our in-house elastic network model TNM.[3] [1] Bucher D, Grant BJ, McCammon JA.Biochemistry. 2011 Dec 6;50(48):10530-9. Epub 2011 Nov 10. [2] Changeux JP, Edelstein S. F1000 Biol Rep. 2011;3:19. Epub 2011 Sep 1. [3] Mendez R, Bastolla U.Phys Rev Lett. 2010 Jun 4;104(22):228103. Epub 2010 Jun 3.

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