QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts

  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},
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

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