AMMOS / DG-AMMOS – Automated Molecular Mechanics Optimization tool for in silico Screening / using Distance Geometry

AMMOS / DG-AMMOS

:: DESCRIPTION

AMMOS is a package to refine the 3D structures of compounds and of compounds docked into a protein target.

DG-AMMOS is a New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening.

::DEVELOPER

Molécules Thérapeutiques in silico (MTi)

:: SCREENSHOTS

N/A

::REQUIREMENTS

  • Linux
  • C Compiler

:: DOWNLOAD

 AMMOS / DG-AMMOS

:: MORE INFORMATION

Citation

BMC Bioinformatics. 2008 Oct 16;9:438. doi: 10.1186/1471-2105-9-438.
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.
Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA.

BMC Chem Biol. 2009 Nov 13;9:6. doi: 10.1186/1472-6769-9-6.
DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.
Lagorce D, Pencheva T, Villoutreix BO, Miteva MA.