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A review on description dynamics and conformational changes of proteins using combination of principal component analysis and molecular dynamics simulation

Sajad Moradi, Amin Nowroozi, Mohammad Aryaei Nezhad, Parvin Jalali, Rasool Khosravi, Mohsen Shahlaei

2024Computers in Biology and Medicine77 citationsDOI

Topics & Concepts

Molecular dynamicsDynamics (music)Principal component analysisComponent (thermodynamics)Biological systemComputer scienceStatistical physicsChemistryComputational chemistryArtificial intelligencePhysicsBiologyThermodynamicsAcousticsProtein Structure and DynamicsComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography
A review on description dynamics and conformational changes of proteins using combination of principal component analysis and molecular dynamics simulation | Litcius