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software
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List of Software currently available on the PortoBioComp Database:
vsLab (Virtual Screening LABoratory) is an easy-to-use graphical interface for the well known molecular docking software AutoGrid/AutoDock that has been included into VMD as a plug-in. This program allows almost anyone to use AutoDock and AutoGrid for simple docking or for virtual screening campaigns without requiring any deep knowledge about these techniques.
CompASM is an intuitive VMD plug-in for that allows the user to perform a full Alanine Scanning Mutagenesis (ASM) procedure, requiring only very little user effort.
MADAMM allows to include a certain degree of flexibility of both the receptor and the ligand during a Multi stAged Docking with an Automated Molecular Modeling protocol.
The results obtained with this methodology show that MADAMM can lead to dramatic improvements in both sampling and scoring over conventional single rigid protein docking. The software uses standard docking software and molecular mechanics force fields in the core process and a set of scripts that automates the process without the intervention of the user.
software.1380730461.txt.gz · Last modified: 2013/10/02 17:14 by nuno
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