Name
Abstract | ||
|---|---|---|
A Summary: The volume of an internal protein pocket is fundamental to ligand accessibility. Few programs that compute such volumes manage dynamic data from molecular dynamics (MD) simulations. Limited performance often prohibits analysis of large datasets. We present Epock, an efficient command-line tool that calculates pocket volumes from MD trajectories. A plugin for the VMD program provides a graphical user interface to facilitate input creation, run Epock and analyse the results. |
Year | DOI | Venue |
|---|---|---|
2015 | 10.1093/bioinformatics/btu822 | BIOINFORMATICS |
Field | DocType | Volume |
Source code,Computer science,Graphical user interface,Software,Dynamic data,Bioinformatics,Plug-in,Documentation,Python (programming language),Scripting language | Journal | 31 |
Issue | ISSN | Citations |
9 | 1367-4803 | 2 |
PageRank | References | Authors |
0.35 | 1 | 8 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Benoist Laurent | 1 | 4 | 1.10 |
| Matthieu Chavent | 2 | 46 | 5.46 |
| Tristan Cragnolini | 3 | 8 | 0.74 |
| Anna Caroline E. Dahl | 4 | 6 | 0.80 |
| Samuela Pasquali | 5 | 3 | 1.07 |
| Philippe Derreumaux | 6 | 70 | 14.13 |
| Mark S. P. Sansom | 7 | 65 | 11.52 |
| Marc Baaden | 8 | 89 | 10.75 |