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ENCoM: A coarse-grained NMA method to study protein dynamics and the effect of mutations
By: Rafael Najmanovich  
December 22 2013


Our latest work has been accepted in PLOS Computational Biology - meanwhile it is already available as a preprint at biorXiv with only minor differences with respect to the accepted version. This is the work of PhD student Vincent Frappier on the development of a new normal mode analysis method that includes an atom contact non-bonded interaction term in the potential energy function, making it possible to consider the effect of mutations on dynamics. As normal modes are associated to vibrational entropy, in addition to using ENCoM to predict the effect of mutations on protein dynamics we also apply ENCoM to predict their effect on protein stability and compare our predictions to those of 8 existing methods. Take a look!





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