Journal
MEMBRANES
Volume 12, Issue 9, Pages -Publisher
MDPI
DOI: 10.3390/membranes12090844
Keywords
molecular dynamics simulations; enhanced sampling techniques; membrane dynamics; GPCRs; lipid-protein interactions; ACE-2 membrane receptor
Categories
Funding
- Macau Science and Technology Development Fund [085/2017/A2, 0077/2019/AMJ]
- University of Macau [SRG2017-00097-FHS, MYRG2019-00018-FHS, MYRG2020-00094-FHS]
- Faculty of Health Sciences, University of Macau [FHSIG/SW/0007/2020P]
- University of Macau Postdoctoral Fellowship Class A of the Macao Talent Program
- FDCT post-doctorate fellowship [UMMTP-FDCT/0027/APD/2021]
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Molecular Dynamics (MD) Simulations is a powerful tool used for studying protein structure-related questions. It has been widely applied to research protein function, stability, interactions, and more.
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.
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