New methodology for computer-aided modelling of biomolecular structure and dynamics. 1. Non-cyclic structures.

@article{Mazur1989NewMF,
  title={New methodology for computer-aided modelling of biomolecular structure and dynamics. 1. Non-cyclic structures.},
  author={A. K. Mazur and R. A. Abagyan},
  journal={Journal of biomolecular structure & dynamics},
  year={1989},
  volume={6 4},
  pages={815-32}
}
A general methodology is proposed for the conformational modelling of biomolecular systems. The approach allows one: (i) to describe the system under investigation by an arbitrary set of internal variables, i.e., torsion angles, bond angles, and bond lengths; it offers a possibility to pass from the free structure to a completely fixed one with the number of variables from 3N to zero, respectively, where N is the number of atoms; (ii) to consider both, a single molecule and a complex of many… CONTINUE READING

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