The prediction of the native structures of proteins, the socalled protein folding problem, is a NP hard multi-minima optimization problem for which to date no routine solutions ex...
Background: Protein motions play an essential role in catalysis and protein-ligand interactions, but are difficult to observe directly. A substantial fraction of protein motions i...
Background: The structure of proteins may change as a result of the inherent flexibility of some protein regions. We develop and explore probabilistic machine learning methods for...
Protein structure determination and prediction has been a focal research subject in life sciences due to the importance of protein structure in understanding the biological and ch...
Background: We present a novel method of protein fold decoy discrimination using machine learning, more specifically using neural networks. Here, decoy discrimination is represent...