基于片段的药物设计
fragment-based drug design
基于受体的合理药物设计
receptor-based rational drug design
基于性质的药物设计
property-based drug design
计算机辅助药物设计
computer-aided drug design
computer aided drug design
computer-aided drug design CADD
adding methods of binder
computer-aided drug design(CADD
Computer-assistant drug design(CADD
CADD
计算机辅助药物设计CADD
CADD Computer-Aided Drug Design
Cluster从头计算
ab initial calculation of cluster
从头计算
ab initio calculation
ab initio prediction
Ab initio method
Ab initio calculations
an ab initio
ab initio calculatil
Ab initio study
first-principle calculations
ab inito calculation
menthoxyacetyl acid
ab inito method
ab inito
ab initio
b initio
INITIO
proton transfer