QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts

@inproceedings{Ribeiro2016QwikMDI,
  title={QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts},
  author={Jo{\~a}o V. Ribeiro and Rafael C Bernardi and Till Rudack and John E. Stone and James C. Phillips and Peter L. Freddolino and Klaus Schulten},
  booktitle={Scientific reports},
  year={2016}
}
The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion can be studied using a wide variety of techniques, but none offers the level of detail as do molecular dynamics (MD) simulations. Integrating two widely used modeling programs, namely NAMD and VMD, we have created a robust, user-friendly software, QwikMD, which enables novices and experts alike to address biomedically… CONTINUE READING

From This Paper

Topics from this paper.

Citations

Publications citing this paper.
Showing 1-10 of 14 extracted citations

References

Publications referenced by this paper.
Showing 1-10 of 11 references

CHARMM : A program for macromolecular energy , minimization , and dynamics calculations

  • S. Pronk, S. Páll, +4 authors B. Hess
  • Journal of Computational Chemistry
  • 2013

AMBER : Assisted model building with energy refinement . A general program for modeling molecules and their interactions

  • B. R. Brooks, C. L. Brooks, +4 authors A. Caflisch
  • Journal of Computational Chemistry
  • 2009

Similar Papers

Loading similar papers…