| 摘要 |
<p>A computer-assisted method for constructing a polypeptide chain having a substantially predetermined conformation (2110). Preferably a known stable well-mapped polypeptide structure is used as a starting point (2120), and additional peptide units are added on (2140) while maintaining favorable enthalpic and entropic contributions to stability (2160). Preferably a library of oligopeptide blocks is used to provide candidates for the additional peptide units. Preferably the library includes numerous precomputed parameters for each of the blocks, e.g. parameters for estimating energetic effects of varying the conformation parameters.</p> |
