FEW statistics

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FEW specifications

Information


Unique identifier OMICS_11518
Name FEW
Alternative name Free Energy Workflow
Software type Pipeline/Workflow
Interface Command line interface
Restrictions to use None
Input data PDB structure of the receptor and structures of the ligands (in MOL2 format) with coordinates specifying the bound position of the ligand
Operating system Unix/Linux
Programming languages Perl
Computer skills Advanced
Stability Stable
Requirements
AmberTools
Maintained Yes

Versioning


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Documentation


Maintainer


  • person_outline Holger Gohlke <>

Publication for Free Energy Workflow

FEW in publication

PMCID: 5768160
PMID: 29367919
DOI: 10.3389/fmolb.2017.00087

[…] in a proteome-wide search to locate their interaction partners (tiwari and mohanty, )., over the past few years, several new toolkits were released to facilitate the use of mmpbsa calculations. a free energy workflow tool, few, was developed for amber to assist in the setup of molecular dynamics simulations in explicit membrane environments. few also assists in the setup and execution […]


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FEW institution(s)
Institute for Pharmaceutical and Medicinal Chemistry, Department of Mathematics and Natural Sciences, Heinrich-Heine-University, Düsseldorf, Germany

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