title: Sidechain and backbone potential function for conformational analysis of proteins.
abstract: An improved potential function has been devised for the calculation of protein conformations. Each amino acid residue is represented by two points. The mainchain is traced by the sequence of C alpha atoms, and the details of sidechain structure and interactions are represented by a representative sidechain atom. This potential function has been developed from a data base of 22 high resolution protein crystal structures and includes the components of an earlier potential developed from a similar data base where each amino acid residue is represented by only its C alpha atom. In virtually all aspects of testing, the present potential betters the previous single-point potential, and is shown to be useful in the simulation of protein folding.
mesh_terms: D000595:Amino Acid Sequence; D008433:Mathematics; D011487:Protein Conformation; D011506:Proteins; D013329:Structure-Activity Relationship; D013816:Thermodynamics
chemical_list: D011506:Proteins