A central partition of molecular conformational space: I. Basic structures

@article{GabarroArpa2003ACP,
  title={A central partition of molecular conformational space: I. Basic structures},
  author={Jacques Gabarro-Arpa},
  journal={Computational biology and chemistry},
  year={2003},
  volume={27 2},
  pages={153-9}
}
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 (cells) characterized by the dominance relations between cartesian coordinates. This work presents a geometric and combinatorial description of the cell arrangement which is polar to a 3x… CONTINUE READING