Calculations of Water Accessible Surface Area and Hydrophobicity of Conformers of Peptides and Drawing of Their Steric Views by the Ray Tracing Method

ペプチドの水付着面積と疎水性の計算及び光照射法によるその立体図の作成

Calculations of Water Accessible Surface Area and Hydrophobicity of Conformers of Peptides and Drawing of Their Steric Views by the Ray Tracing Method

Creators Tamura Takuro

Creators Itoh Toshiaki

Creators Utsumi Toshihiko

Creators Koga Daizo

Creators Ide Akio

The peptide molecule having certain amino acid sequence takes various conformations and changes the state of the molecular surface. Therefore, in order to detect the character of the molecular surface of the peptide, programs for calculation of the surface area as the water accessible surface area, the hydrophobicity, the hydrophilicity, the hydrophobic vector and the electrostatic charges of a peptide molecule were prepared. Furthermore, in order to get the visual images of peptide surfaces, a program was prepared for displaying the peptide molecule. These programs can be executed on a personal computer and their proprieties were confirmed by several trials.

[ISSN]0513-1715

[NCID]AN00244250