A central partition of molecular conformational space. I. Basic structures
计算物理
2008-12-14 v1 生物物理
化学物理
摘要
On the basis of empirical evidence from molecular dynamics simulations, molecular conformational space can be described by means of a partition of central conical regions characterized by the dominance relations between cartesian coordinates. This work presents a geometric and combinatorial description of this structure.
引用
@article{arxiv.physics/0204035,
title = {A central partition of molecular conformational space. I. Basic structures},
author = {Jacques Gabarro-Arpa},
journal= {arXiv preprint arXiv:physics/0204035},
year = {2008}
}