Format

Send to

Choose Destination
Future Med Chem. 2011 Jun;3(8):923-31. doi: 10.4155/fmc.11.59.

ClickMD: an intuitive web-oriented molecular dynamics platform.

Author information

1
Pharmaceutical Biochemistry Group, School of Pharmaceutical Sciences, SCIENCES II, Université de Genève, Quai E Ansermet, 30 1211 Genève, Switzerland.

Abstract

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.

PMID:
21707396
DOI:
10.4155/fmc.11.59
[Indexed for MEDLINE]

Supplemental Content

Full text links

Icon for Atypon
Loading ...
Support Center