Preferred Name |
Molecular dynamics |
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Synonyms |
Molecular motions Molecular flexibility Protein dynamics |
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Definitions |
The study and simulation of molecular (typically protein) conformation using a computational model of physical forces and computer simulation. This includes methods such as Molecular Dynamics, Coarse-grained dynamics, metadynamics, Quantum Mechanics, QM/MM, Markov State Models, etc. This includes resources concerning flexibility and motion in protein and other molecular structures. |
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ID |
http://edamontology.org/topic_0176 |
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comment |
This includes methods such as Molecular Dynamics, Coarse-grained dynamics, metadynamics, Quantum Mechanics, QM/MM, Markov State Models, etc. This includes resources concerning flexibility and motion in protein and other molecular structures. |
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Created in |
beta12orEarlier |
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hasBroadSynonym |
Molecular motions Molecular flexibility |
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hasDefinition |
The study and simulation of molecular (typically protein) conformation using a computational model of physical forces and computer simulation. |
|
hasHumanReadableId |
Molecular_dynamics |
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hasNarrowSynonym |
Protein dynamics |
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inSubset | ||
isdebtag |
true |
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label |
Molecular dynamics |
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prefixIRI |
topic_0176 |
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prefLabel |
Molecular dynamics |
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seeAlso | ||
subClassOf |