PMC:1635054 / 94-854 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/1635054","sourcedb":"PMC","sourceid":"1635054","source_url":"https://www.ncbi.nlm.nih.gov/pmc/1635054","text":"A new, promising solvent exposure measure, called half-sphere-exposure (HSE), has recently been proposed. Here, we study the reconstruction of a protein's Cα trace solely from structure-derived HSE information. This problem is of relevance for de novo structure prediction using predicted HSE measure. For comparison, we also consider the well-established contact number (CN) measure. We define energy functions based on the HSE- or CN-vectors and minimize them using two conformational search heuristics: Monte Carlo simulation (MCS) and tabu search (TS). While MCS has been the dominant conformational search heuristic in literature, TS has been applied only a few times. To discretize the conformational space, we use lattice models with various complexity.","tracks":[]}