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

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

2002-04-12

arxiv.org/abs/physics/0204035v1

Computational Biology and Chemistry 27, 153-159 (2003)

Physics

Computational Physics

Scientific paper

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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