價格：免費
更新日期：2017-11-21
檔案大小：198.5 MB
目前版本：1.0.2
版本需求：需要 iOS 9.0 或以上版本。與 iPhone、iPad 及 iPod touch 相容。
支援語言：英語
Captisol is a beta-cyclodextrin with an average of 7 sulfobutylether (SBE) substitutions per molecule that was rationally designed to improve the solubility, stability, bioavailability and dosing of biologically active compounds.
Ollomol AR for Captisol was designed to visualize in 3D-AR a number of Captisol-based supramolecular complexes. It allows viewing in an immersive way the movement of the structures at atomic resolution, explicitly considering all the classical degrees of freedom. The movies were generated by Molecular Dynamics simulations using the GROMACS software and the GROMOS force field with a specific parameterization for Captisol (considering a structure with four SBE groups positioned on the C6-OH of alternating glucose rings and three additional SBE groups placed on the C3-OH of the remaining glucose rings of the cyclodextrin).
支援平台：iPhone, iPad