Applications of Molecular Dynamics Simulation in Protein Study
Siddharth Sinha, Benjamin Tam, San Ming Wang
Abstract
Molecular Dynamics (MD) Simulations is increasingly used as a powerful tool to study protein structure-related questions. Starting from the early simulation study on the photoisomerization in rhodopsin in 1976, MD Simulations has been used to study protein function, protein stability, protein-protein interaction, enzymatic reactions and drug-protein interactions, and membrane proteins. In this review, we provide a brief review for the history of MD Simulations application and the current status of MD Simulations applications in protein studies.
Topics & Concepts
Molecular dynamicsRhodopsinProtein functionPhotoisomerizationProtein dynamicsProtein–protein interactionChemistryBiophysicsComputer scienceStatistical physicsComputational chemistryPhysicsBiologyBiochemistryRetinalGeneIsomerizationCatalysisPhotoreceptor and optogenetics researchPhotosynthetic Processes and MechanismsProtein Structure and Dynamics