分子构象空间的中心分区。II。嵌入3D结构
A central partition of molecular conformational space. II. Embedding 3D structures
摘要：
先前开发的分子构象空间的组合模型（J. Gabarro-Arpa，Comp. Biol. and Chem.27，（2003）153-159）具有这样的缺点，即结构不能被适当地嵌入，因为它缺乏明确的旋转对称性。这个问题可以通过将分子系统的基本3D组件分类到可以单独嵌入的有限类集合中来规避。这也开启了将动态状态编码到图结构中的可能性。
英文摘要：
A combinatorial model of molecular conformational space that was previously developped (J. Gabarro-Arpa, Comp. Biol. and Chem. 27, (2003) 153-159), had the drawback that structures could not be properly embedded beacause it lacked explicit rotational symmetry. The problem can be circumvented by sorting the elementary 3D components of a molecular system into a finite set of classes that can be separately embedded. This also opens up the possibility of encoding the dynamical states into a graph structure.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
