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...
High-throughput, data-directed computational protocols for Structural Genomics (or Proteomics) are required in order to evaluate the protein products of genes for structure and fu...
Background: Classification of protein sequences is a central problem in computational biology. Currently, among computational methods discriminative kernel-based approaches provid...
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
Background: The abundant data available for protein interaction networks have not yet been fully understood. New types of analyses are needed to reveal organizational principles o...
Taner Z. Sen, Andrzej Kloczkowski, Robert L. Jerni...