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大分子解剖程序，配体分子契合适配和ＤＯＣＫ程序，以及计算化学的其它程序等，已集成为基于受体结构和分子间相互作用的进行分子设计的软件系统，定名为ＢＩＯＳ（Ｂｉｏｍｏｌｅｃｕｌａｒｉｎｔｅｒａｃｔｉｏｎｓａｎｄｏｒｉｅｎｔａｔｉｏｎｓｉｍｕｌａｔｏｒ）。ＢＩＯＳ软件可在普通的微机上运行。使用ＢＩＯＳ分别剥离了细胞浆维甲结合蛋白（ＣＲＢＰ）和副睾维甲酸结合蛋白（Ｅ－ＲＡＢＰ）两种蛋白的配体结合腔，剥离是围绕配体以同样的分子距离进行的。从而得到了芳香性残基分布相似的两个结合腔，其结合位点的几何排布却有相当差别。揭示出的结合腔已用于一系列的维甲类化合物的ＤＯＣＫ研究。Ｅ－ＲＡＢＰ的结合腔可做为设计新维甲类分子的模板。
Macromolecular anatomy, ligand-ligand fit and DOCK programs, and other computational chemistry programs have been integrated into software systems designed for molecular design based on receptor structure and intermolecular interactions, and named BIOS (Biomolecular Interactions and Oriented Instruments). BIOS software can be run on an ordinary PC. The BIOS was used to strip away the ligand binding cavities of cytoplasmic retinal binding protein (CRBP) and the E-RABP protein, respectively, stripping around the ligand at the same molecular distance. As a result, two binding cavities with similar distribution of aromatic residues are obtained, but the geometric arrangement of the binding sites is quite different. The disclosed binding cavity has been used in a series of DOCK studies of retinoids. The E-RABP binding pocket serves as a template for designing new retinal molecules.