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 assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit (a molecular mechanics approach), or explicitly modelling protons and neutrons with its quarks, anti-quarks
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3-Hydroxyflavone5-HT1D receptorACD/ChemSketchActinAmiram GoldblumAndres Jaramillo-BoteroAntifreeze proteinAralkylamine N-acetyltransferaseArie Lev GruzmanAscalaph DesignerAtomic, molecular, and optical physicsAtomic and molecular astrophysicsAtomistixAustin Model 1Australian Laureate FellowshipAutoDockAvogadro (software)B3 domainBALLBOSS (molecular mechanics)BindingDBBiskitCarbon nanothreadCarbon nanotubeCentre for Distance Learning and InnovationChemMedChemCheminformaticsChemistry Development KitChlorosomeCoNTubCoarse-grained modelingCombinatorial chemistryComparison of nucleic acid simulation softwareComputational biologyComputational chemistryComputational historyComputational materials scienceComputer simulationComputingConformational isomerism
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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 assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit (a molecular mechanics approach), or explicitly modelling protons and neutrons with its quarks, anti-quarks
has abstract
El modelado molecular o simula ...... ADN, y complejos de membranas.
@es
La modellistica molecolare com ...... derati durante le simulazioni.
@it
La modélisation moléculaire es ...... evoir de nouveaux médicaments.
@fr
Modelagem molecular é um termo ...... cular são o software igemDOCK.
@pt
Modelowanie molekularne – zbió ...... teriałów nanotechnologicznych.
@pl
Molecular modelling encompasse ...... a quantum chemistry approach).
@en
Molekulové modelování je vědní ...... nahrazen počítačovou simulací.
@cs
Simulació molecular o modelat ...... elevat de partícules (àtoms).
@ca
Unter molekularer Modellierung ...... aided molecular design, CAMD).
@de
Молекуля́рне моделюва́ння (анг ...... молекулярному розпізнанні тощо
@uk
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El modelado molecular o simula ...... característica particular de l
@es
La modellistica molecolare com ...... stemi relativamente complessi.
@it
La modélisation moléculaire es ...... evoir de nouveaux médicaments.
@fr
Modelagem molecular é um termo ...... e sistemas dequalquer tamanho.
@pt
Modelowanie molekularne – zbió ...... puterach należących do innych.
@pl
Molecular modelling encompasse ...... s with its quarks, anti-quarks
@en
Molekulové modelování je vědní ...... modynamiku chemických systémů.
@cs
Simulació molecular o modelat ...... e nous materials i de fàrmacs.
@ca
Unter molekularer Modellierung ...... aided molecular design, CAMD).
@de
Молекуля́рне моделюва́ння (анг ...... імії та молекулярної механіки.
@uk
label
Modelado molecular
@es
Modelagem molecular
@pt
Modellistica molecolare
@it
Modelowanie molekularne
@pl
Modélisation moléculaire
@fr
Molecular modelling
@en
Molekulare Modellierung
@de
Molekulární modelování
@cs
Simulació molecular
@ca
Молекулярне моделювання
@uk