Dispositif, procede, programme et support d'enregistrement sur lequel ledit programme est enregistre permettant de calculer une energie libre

Free energy calculation device, method, program, and recording medium with the program recorded thereon

Abstract

The purpose of the present invention is to provide a device, a method, a program, and a recording medium with the program recorded thereon, for calculating, quickly and with high precision, differences in free energy between different molecules. To achieve this purpose, in this device, method, program, and recording medium with the program recorded thereon, ?G is calculated on the basis of mathematical formula (1).

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