ClickMD: an intuitive web-oriented molecular dynamics platform
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.
Références BibTex
@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 = {https://publications.crs4.it/pubdocs/2011/CBCFSM11},
}