Publication
Science Advances
Paper

Blind protein structure prediction using accelerated free-energy simulations

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Abstract

We report a key proof of principle of a new acceleration method [Modeling Employing Limited Data (MELD)] for predicting protein structures by molecular dynamics simulation. It shows that such Boltzmann-satisfying techniques are now sufficiently fast and accurate to predict native protein structures in a limited test within the Critical Assessment of Structure Prediction (CASP) community-wide blind competition.

Date

01 Nov 2016

Publication

Science Advances

Authors

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