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

Jacques Gabarro-Arpa

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

Jacques Gabarro-Arpa

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Abstract

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.

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Jacques Gabarro-Arpa. 2002-04-12. A central partition of molecular conformational space. I. Basic structures. https://arxiv.org/abs/physics/0204035

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