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New BICePs paper published in J Comp Chem

posted Sep 24, 2014, 1:06 PM by Vincent Voelz   [ updated Sep 24, 2014, 9:17 PM ]
A paper describing our new BICePs algorithm has been published in the latest issue of the Journal of Computational Chemistry.   BICePs (Bayesian inference of conformational populations) is a method to infer the populations of conformational states, using a combination of high-resolution modeling and sparse experimental observables.  We think BICePs will be very useful for characterizing the conformational pre-organization of peptidomimetics, natural products and other molecules in solution.