Weifeng Li, Xing Dai, et al.
Nanoscale
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.
Weifeng Li, Xing Dai, et al.
Nanoscale
Matteo Aldeghi, David E. Graff, et al.
J. Chem. Inf. Model.
Peter Mináry, Joseph A. Morrone, et al.
Journal of Chemical Physics
Joseph A. Morrone, Ruhong Zhou, et al.
JCTC