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Molecular modelling

Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material…

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Overview

Molecular mechanics

Variables

Applications

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Map overview Semantic statistics

Molecular modelling

Nodes29
Edges28
Triples20
Avg. degree1.93
Density0.068966
Components1

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Molecular modelling

Top relations

related to Molecular mechanics · 16
Molecular modelling → Atoms, Cartesian, Coulomb's, Different, Integration, It, Lower, Methods, Molecular, Newton's, Newtonian, The, The Lennard-Jones, This, Van, Waals
has application · 3
Molecular modelling → DNA, Molecular, The

Important terminology Word statistics

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Important terminology

molecular modelling atoms systems methods molecules potential energy force system used mechanics termed function fields chemical biological computational chemistry model

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
waterinstance ofor in the presence of a solvent0.80text
Molecular modellinghas applicationMolecular0.60section
Molecular modellinghas applicationThe0.60section
Molecular modellinghas applicationDNA0.60section
Molecular modellingrelated to Molecular mechanicsMolecular0.60section
Molecular modellingrelated to Molecular mechanicsNewtonian0.60section
Molecular modellingrelated to Molecular mechanicsThe0.60section
Molecular modellingrelated to Molecular mechanicsVan0.60section
Molecular modellingrelated to Molecular mechanicsWaals0.60section
Molecular modellingrelated to Molecular mechanicsThe Lennard-Jones0.60section
Molecular modellingrelated to Molecular mechanicsCoulomb's0.60section
Molecular modellingrelated to Molecular mechanicsAtoms0.60section

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    Min side: 3
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