- Home
- Search Results
- Page 1 of 1
Search for: All records
- 
                                    Total Resources1
- Resource Type
- 
                                    
                                    
                                    
                                    0000000001000000
- More
- Availability
- 
                                    
                                    10
- Author / Contributor
- Filter by Author / Creator
- 
                                    
                                        - 
                                                    
                                                        
                                                            
                                                            Leong, Timothy (1)
- 
                                                    
                                                        
                                                            
                                                            Peng, Zhangli (1)
- 
                                                    
                                                        
                                                            
                                                            Voleti, Chandhana (1)
- 
                                                    
                                                        
                                                            
                                                            #Tyler Phillips, Kenneth E. (0)
- 
                                                    
                                                        
                                                            
                                                            #Willis, Ciara (0)
- 
                                                    
                                                        
                                                            
                                                            & Abreu-Ramos, E. D. (0)
- 
                                                    
                                                        
                                                            
                                                            & Abramson, C. I. (0)
- 
                                                    
                                                        
                                                            
                                                            & Abreu-Ramos, E. D. (0)
- 
                                                    
                                                        
                                                            
                                                            & Adams, S.G. (0)
- 
                                                    
                                                        
                                                            
                                                            & Ahmed, K. (0)
- 
                                                    
                                                        
                                                            
                                                            & Ahmed, Khadija. (0)
- 
                                                    
                                                        
                                                            
                                                            & Aina, D.K. Jr. (0)
- 
                                                    
                                                        
                                                            
                                                            & Akcil-Okan, O. (0)
- 
                                                    
                                                        
                                                            
                                                            & Akuom, D. (0)
- 
                                                    
                                                        
                                                            
                                                            & Aleven, V. (0)
- 
                                                    
                                                        
                                                            
                                                            & Andrews-Larson, C. (0)
- 
                                                    
                                                        
                                                            
                                                            & Archibald, J. (0)
- 
                                                    
                                                        
                                                            
                                                            & Arnett, N. (0)
- 
                                                    
                                                        
                                                            
                                                            & Arya, G. (0)
- 
                                                    
                                                        
                                                            
                                                            & Attari, S. Z. (0)
 
- 
                                                    
                                                        
                                                            
                                                            
- Filter by Editor
- 
                                    
                                        - 
                                                    
                                                        
                                                            
                                                            null (1)
- 
                                                    
                                                        
                                                            
                                                            & Spizer, S. M. (0)
- 
                                                    
                                                        
                                                            
                                                            & . Spizer, S. (0)
- 
                                                    
                                                        
                                                            
                                                            & Ahn, J. (0)
- 
                                                    
                                                        
                                                            
                                                            & Bateiha, S. (0)
- 
                                                    
                                                        
                                                            
                                                            & Bosch, N. (0)
- 
                                                    
                                                        
                                                            
                                                            & Brennan K. (0)
- 
                                                    
                                                        
                                                            
                                                            & Brennan, K. (0)
- 
                                                    
                                                        
                                                            
                                                            & Chen, B. (0)
- 
                                                    
                                                        
                                                            
                                                            & Chen, Bodong (0)
- 
                                                    
                                                        
                                                            
                                                            & Drown, S. (0)
- 
                                                    
                                                        
                                                            
                                                            & Ferretti, F. (0)
- 
                                                    
                                                        
                                                            
                                                            & Higgins, A. (0)
- 
                                                    
                                                        
                                                            
                                                            & J. Peters (0)
- 
                                                    
                                                        
                                                            
                                                            & Kali, Y. (0)
- 
                                                    
                                                        
                                                            
                                                            & Ruiz-Arias, P.M. (0)
- 
                                                    
                                                        
                                                            
                                                            & S. Spitzer (0)
- 
                                                    
                                                        
                                                            
                                                            & Sahin. I. (0)
- 
                                                    
                                                        
                                                            
                                                            & Spitzer, S. (0)
- 
                                                    
                                                        
                                                            
                                                            & Spitzer, S.M. (0)
 
- 
                                                    
                                                        
                                                            
                                                            
- 
                                    Have feedback or suggestions for a way to improve these results?
 !
                                    
                                        
                                            Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher.
                                            Some full text articles may not yet be available without a charge during the embargo (administrative interval).
                                        
                                        
                                        
                                            
                                                
                                             What is a DOI Number?
                                        
                                    
                                
Some links on this page may take you to non-federal websites. Their policies may differ from this site.
- 
            null (Ed.)We developed coarse-grained models of spike proteins in SARS-CoV-2 coronavirus and angiotensin-converting enzyme 2 (ACE2) receptor proteins to study the endocytosis of a whole coronavirus under physiologically relevant spatial and temporal scales. We first conducted all-atom explicit-solvent molecular dynamics simulations of the recently characterized structures of spike and ACE2 proteins. We then established coarse-grained models using the shape-based coarse-graining approach based on the protein crystal structures and extracted the force field parameters from the all-atom simulation trajectories. To further analyze the coarse-grained models, we carried out normal mode analysis of the coarse-grained models to refine the force field parameters by matching the fluctuations of the internal coordinates with the original all-atom simulations. Finally, we demonstrated the capability of these coarse-grained models by simulating the endocytosis of a whole coronavirus through the host cell membrane. We embedded the coarse-grained models of spikes on the surface of the virus envelope and anchored ACE2 receptors on the host cell membrane, which is modeled using a one-particle-thick lipid bilayer model. The coarse-grained simulations show the spike proteins adopt bent configurations due to their unique flexibility during their interaction with the ACE2 receptors, which makes it easier for them to attach to the host cell membrane than rigid spikes.more » « less
 An official website of the United States government
An official website of the United States government 
				
			 
					 
					
