| 摘要 |
The present invention relates to a fold recognition method and an inverse folding method to identify a potential structural relationship between a particular target amino acid sequence and one or more protein 3D structures. The present invention further relates to an inverse folding method to identify a potential structural relationship between a particular protein 3D structure and one or more known amino acid sequences, wherein the said protein 3D structure is analyzed by a method executable in a computer under the control of a program stored in the computer, and comprising the following steps. The present invention further relates to a protein design method to identify or generate amino acid sequences which are energetically compatible with a particular protein 3D structure. The invention further provides a type-dependent, topology-specific solvation method for the assignment of a set of energetic solvation terms to a set of residue types, depending on the degree of solvent exposure of their respective rotamers at the considered residue positions in a protein structure. |
