Blind protein structure prediction using accelerated free-energy simulations.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 27847872.
- Also identified by PMC identifier 5106196.
- Licence recorded as CC BY-NC.
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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.
Medical subject headings
- Molecular Dynamics Simulation
- Protein Folding
- Proteins
- Software