Tag: Complex Structure

FlexAID 2.48 / NRGsuite 2.48f – Revisiting Docking on Non-Native-Complex Structures

FlexAID 2.48 / NRGsuite 2.48f

:: DESCRIPTION

NRGsuite is a PyMOL plugin to perform docking simulations in real time using FlexAID.

::DEVELOPER

Najmanovich Research Group

:: SCREENSHOTS

NRGsuite

:: REQUIREMENTS

  • Windows/Linux/MacOsX
  • Python
  • PyMOL

:: DOWNLOAD

 NRGsuite , FlexAID.

:: MORE INFORMATION

Citation

NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAID.
Gaudreault F, Morency LP, Najmanovich RJ.
Bioinformatics. 2015 Aug 6. pii: btv458.

FlexAID: Revisiting Docking on Non-Native-Complex Structures.
Gaudreault F, Najmanovich RJ.
J Chem Inf Model. 2015 Jul 27;55(7):1323-36. doi: 10.1021/acs.jcim.5b00078.

PoseView 1.1.2 – Creates Two-dimensional Diagrams of Complexes with known Complex Structure

PoseView 1.1.2

:: DESCRIPTION

The PoseView automatically creates two-dimensional diagrams of complexes with known 3D structure according to chemical drawing conventions.

::DEVELOPER

Center for Bioinformatics (ZBH), University of Hamburg

:: SCREENSHOTS

PoseView

:: REQUIREMENTS

  • Linux/Windows

:: DOWNLOAD

 PoseView

:: MORE INFORMATION

Citation

Bioinformatics. 2006 Jul 15;22(14):1710-6. Epub 2006 Apr 21.
Molecular complexes at a glance: automated generation of two-dimensional complex diagrams.
Stierand K1, Maass PC, Rarey M.