Blind protein structure prediction using accelerated free-energy simulations.

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.

SUBMITTER: Perez A 

PROVIDER: S-EPMC5106196 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature