| 摘要 |
<p>PROBLEM TO BE SOLVED: To provide an estimation method for the interaction between a biopolymer and a low-molecular compound such as a drug, or a physiological active compound and to provide a parameter which is used for the method. SOLUTION: In the method in which the strength of the bond between the biopolymer and a ligand is estimated, and in the parameter which is used for the method, van der Waals interaction energy is calculated by using a distance- dependent atomic-pair potential function to which the contribution of a hydrophobic effect is added in a force-field energy calculation method.</p> |
