PMC:1867812 / 10071-10785 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/1867812","sourcedb":"PMC","sourceid":"1867812","source_url":"https://www.ncbi.nlm.nih.gov/pmc/1867812","text":"Advances in high-performance computing technologies and molecular dynamics have led to successful simulations of folding dynamics for (small) proteins at the atomistic level [8]. Such simulations result in a large number of folding trajectories, each of which consists of a series of 3D conformations of the protein under simulation. These conformations are usually sampled regularly (e.g., every 200fs) during a simulation. In this article, we also refer to each conformation as a folding frame or simply a frame. Furthermore, to represent a protein conformation, we adopt one of the commonly adopted representation schemes, where a conformation is represented as a sequence of α-carbons (Cα) located in 3D space.","tracks":[]}