Preferred Name

molecular dynamics

Synonyms

molecular mechanics

Definitions

standard computational technique used following the temporal evolution of a system of particles, interacting with each other by means of a certain law; various phenomena can be studied such as phase transitions, liquid structure, defects in solids (vacancies, dislocations, grain boundaries, etc), amorphous materials, surfaces, clusters; the interplay between structure and dynamics of molecules and how these influence function.

ID

http://purl.bioontology.org/ontology/CSP/0630-6300

altLabel

molecular mechanics

molecular modeling

computational chemistry

cui

C0872220

C0600115

C0596957

C0872134

definition

standard computational technique used following the temporal evolution of a system of particles, interacting with each other by means of a certain law; various phenomena can be studied such as phase transitions, liquid structure, defects in solids (vacancies, dislocations, grain boundaries, etc), amorphous materials, surfaces, clusters; the interplay between structure and dynamics of molecules and how these influence function.

DID

0630-6300

Inverse of RB

http://purl.bioontology.org/ontology/CSP/0630-6247

http://purl.bioontology.org/ontology/CSP/0720-9177

Inverse of RO

http://purl.bioontology.org/ontology/CSP/4009-0074

notation

0630-6300

prefLabel

molecular dynamics

tui

T044

T082

T091

T062

subClassOf

http://purl.bioontology.org/ontology/CSP/0630-6247

http://purl.bioontology.org/ontology/CSP/0720-9177

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