CRS4

ClickMD: an intuitive web-oriented molecular dynamics platform

Andrea Cristiani, Nicola Brisotto, Fabian Chatwin Cedrati, Matteo Floris, Leonardo Scapozza, Stefano Moro
Future Medicinal Chemistry - 2011

BACKGROUND: Molecular dynamics (MD) simulations are broadly used to reproduce protein motions at an atomic level of detail. Running MD simulations is generally considered an expert-driven task.

DISCUSSION: ClickMD provides an integrated web-oriented platform for processing and analyzing the time-dependent behavior of a biomolecular system in an MD workflow. ClickMD is freely available online and can be easily integrated into the drug-design process, in particular in combination with molecular docking simulations.

CONCLUSION: ClickMD has the potential to reduce the shuffling among various software applications and to facilitate the seamless processing of the MD trajectories.

BibTex references

@Article{CBCFSM11,
  author       = {Cristiani, A. and Brisotto, N. and Cedrati, F. and Floris, M. and Scapozza, L. and Moro, S.},
  title        = {ClickMD: an intuitive web-oriented molecular dynamics platform},
  journal      = {Future Medicinal Chemistry},
  year         = {2011},
  publisher    = {Future Science},
  doi          = {10.4155/fmc.11.59},
  url          = {http://publications.crs4.it/pubdocs/2011/CBCFSM11},
}

Other publications in the database

» Andrea Cristiani
» Fabian Chatwin Cedrati
» Matteo Floris
» Stefano Moro