New methodology for computer-aided modelling of biomolecular structure and dynamics. 2. Local deformations and cycles.

@article{Abagyan1989NewMF,
  title={New methodology for computer-aided modelling of biomolecular structure and dynamics. 2. Local deformations and cycles.},
  author={R. A. Abagyan and Alexey K. Mazur},
  journal={Journal of biomolecular structure & dynamics},
  year={1989},
  volume={6 4},
  pages={833-45}
}
A new methodology for the conformational modelling of biomolecular systems (1) is extended to local deformations of chain molecules and to flexible molecular rings. It is shown that these two cases may be reduced to considering an equivalent molecular model with a regular tree-like topology. A simple procedure is developed to analyze any flexible rings (the five- and six-membered sugar rings of carbohydrates and nucleic acids, in particular) and local deformation regions by energy minimization… CONTINUE READING

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