Molecular modeling

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=[http://umuziny.co.cc Page Is Unavailable Due To Site Maintenance, Please Visit Reserve Copy Page]=
 
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==Software==
==Software==
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* [[Amber]] - ($) &quot;Assisted Model Building with Energy Refinement&quot; is a set of molecular mechanical force fields for the simulation of biomolecules and a package of molecular simulation programs which includes source code and demos
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* [[Amber]] - ($) "Assisted Model Building with Energy Refinement" is a set of molecular mechanical force fields for the simulation of biomolecules and a package of molecular simulation programs which includes source code and demos
* [[AMMP]] - a modern full-featured molecular mechanics, dynamics and modeling program
* [[AMMP]] - a modern full-featured molecular mechanics, dynamics and modeling program
* [[AutoDock]] - a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure
* [[AutoDock]] - a suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure
* [[Babel]] - a program designed to inter-convert a number of file formats currently used in molecular modeling  
* [[Babel]] - a program designed to inter-convert a number of file formats currently used in molecular modeling  
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* [[CHARMm]] - ($) &quot;Chemistry at HARvard Macromolecular Mechanics&quot; is a versatile and widely used molecular simulation program with broad application to many-particle systems
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* [[CHARMm]] - ($) "Chemistry at HARvard Macromolecular Mechanics" is a versatile and widely used molecular simulation program with broad application to many-particle systems
* [[Friend]] - a bioinformatics application designed for simultaneous analysis and visualization of multiple structures and sequences of proteins and/or DNA/RNA
* [[Friend]] - a bioinformatics application designed for simultaneous analysis and visualization of multiple structures and sequences of proteins and/or DNA/RNA
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* [[GAMESS]] - the &quot;General Atomic and Molecular Electronic Structure System&quot; is a general ''ab initio'' quantum chemistry package.
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* [[GAMESS]] - the "General Atomic and Molecular Electronic Structure System" is a general ''ab initio'' quantum chemistry package.
* [[GDIS]] - a GTK based program for the display and manipulation of isolated molecules and periodic systems
* [[GDIS]] - a GTK based program for the display and manipulation of isolated molecules and periodic systems
* [[Ghemical]] - a molecular modelling package; graphical user interface is built on GTK2; both quantum-mechanical and forcefield-based methods are supported, and it is also possible to add new methods
* [[Ghemical]] - a molecular modelling package; graphical user interface is built on GTK2; both quantum-mechanical and forcefield-based methods are supported, and it is also possible to add new methods
* [[Gromacs]] - the World' s fastest molecular dynamics - and it's GPL  
* [[Gromacs]] - the World' s fastest molecular dynamics - and it's GPL  
* [[Kintecus]] -  Run chemical kinetics/fitting of catalyst reactor, and enzyme reactions
* [[Kintecus]] -  Run chemical kinetics/fitting of catalyst reactor, and enzyme reactions
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* [[MMTK]] - &quot;Molecular Modeling Tool-Kit&quot;
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* [[MMTK]] - "Molecular Modeling Tool-Kit"
* [[MODELLER]] - comparative protein structure modeling by satisfaction of spatial restraints  
* [[MODELLER]] - comparative protein structure modeling by satisfaction of spatial restraints  
* [[Oslet]] - a molecular modeling and simulation environment in Java, mainly for education
* [[Oslet]] - a molecular modeling and simulation environment in Java, mainly for education

Revision as of 03:00, 24 November 2010

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