Matches in SemOpenAlex for { <https://semopenalex.org/work/W3166684145> ?p ?o ?g. }
- W3166684145 endingPage "16233" @default.
- W3166684145 startingPage "16216" @default.
- W3166684145 abstract "We developed and applied a computational approach to simulate functional effects of the global circulating mutation D614G of the SARS-CoV-2 spike protein. All-atom molecular dynamics simulations are combined with deep mutational scanning and analysis of the residue interaction networks to investigate conformational landscapes and energetics of the SARS-CoV-2 spike proteins in different functional states of the D614G mutant. The results of conformational dynamics and analysis of collective motions demonstrated that the D614 site plays a key regulatory role in governing functional transitions between open and closed states. Using mutational scanning and sensitivity analysis of protein residues, we identified the stability hotspots in the SARS-CoV-2 spike structures of the mutant trimers. The results suggest that the D614G mutation can induce the increased stability of the open form acting as a driver of conformational changes, which may result in the increased exposure to the host receptor and promote infectivity of the virus. The network community analysis of the SARS-CoV-2 spike proteins showed that the D614G mutation can enhance long-range couplings between domains and strengthen the interdomain interactions in the open form, supporting the reduced shedding mechanism. This study provides the landscape-based perspective and atomistic view of the allosteric interactions and stability hotspots in the SARS-CoV-2 spike proteins, offering a useful insight into the molecular mechanisms underpinning functional effects of the global circulating mutations." @default.
- W3166684145 created "2021-06-22" @default.
- W3166684145 creator A5021749781 @default.
- W3166684145 creator A5023698777 @default.
- W3166684145 creator A5031922505 @default.
- W3166684145 creator A5052539028 @default.
- W3166684145 date "2021-06-09" @default.
- W3166684145 modified "2023-09-27" @default.
- W3166684145 title "Landscape-Based Mutational Sensitivity Cartography and Network Community Analysis of the SARS-CoV-2 Spike Protein Structures: Quantifying Functional Effects of the Circulating D614G Variant" @default.
- W3166684145 cites W1928455450 @default.
- W3166684145 cites W1948562438 @default.
- W3166684145 cites W1971421925 @default.
- W3166684145 cites W1972758026 @default.
- W3166684145 cites W1990939702 @default.
- W3166684145 cites W2005756796 @default.
- W3166684145 cites W2007572995 @default.
- W3166684145 cites W2010371279 @default.
- W3166684145 cites W2023490488 @default.
- W3166684145 cites W2060872117 @default.
- W3166684145 cites W2074002527 @default.
- W3166684145 cites W2086634221 @default.
- W3166684145 cites W2090264443 @default.
- W3166684145 cites W2092387745 @default.
- W3166684145 cites W2095293504 @default.
- W3166684145 cites W2106648157 @default.
- W3166684145 cites W2115503115 @default.
- W3166684145 cites W2117541321 @default.
- W3166684145 cites W2150981663 @default.
- W3166684145 cites W2151936673 @default.
- W3166684145 cites W2156620408 @default.
- W3166684145 cites W2159675211 @default.
- W3166684145 cites W2163641424 @default.
- W3166684145 cites W2167686614 @default.
- W3166684145 cites W2170060741 @default.
- W3166684145 cites W2172034373 @default.
- W3166684145 cites W2271364844 @default.
- W3166684145 cites W2344557669 @default.
- W3166684145 cites W2411913461 @default.
- W3166684145 cites W2512372054 @default.
- W3166684145 cites W2544136853 @default.
- W3166684145 cites W2564443324 @default.
- W3166684145 cites W2577347274 @default.
- W3166684145 cites W2762161295 @default.
- W3166684145 cites W2896109093 @default.
- W3166684145 cites W2911398658 @default.
- W3166684145 cites W2915009278 @default.
- W3166684145 cites W2940886822 @default.
- W3166684145 cites W3000154837 @default.
- W3166684145 cites W3001465255 @default.
- W3166684145 cites W3003668884 @default.
- W3166684145 cites W3004318991 @default.
- W3166684145 cites W3004348779 @default.
- W3166684145 cites W3004896487 @default.
- W3166684145 cites W3007643904 @default.
- W3166684145 cites W3009335299 @default.
- W3166684145 cites W3009912996 @default.
- W3166684145 cites W3011537081 @default.
- W3166684145 cites W3012883833 @default.
- W3166684145 cites W3013800395 @default.
- W3166684145 cites W3014067025 @default.
- W3166684145 cites W3015190630 @default.
- W3166684145 cites W3022435472 @default.
- W3166684145 cites W3022529555 @default.
- W3166684145 cites W3033962914 @default.
- W3166684145 cites W3036635817 @default.
- W3166684145 cites W3039901154 @default.
- W3166684145 cites W3042332408 @default.
- W3166684145 cites W3042948364 @default.
- W3166684145 cites W3044914269 @default.
- W3166684145 cites W3045149055 @default.
- W3166684145 cites W3046414208 @default.
- W3166684145 cites W3047461618 @default.
- W3166684145 cites W3058836816 @default.
- W3166684145 cites W3070027619 @default.
- W3166684145 cites W3075394685 @default.
- W3166684145 cites W3084653951 @default.
- W3166684145 cites W3087347658 @default.
- W3166684145 cites W3088579397 @default.
- W3166684145 cites W3089840021 @default.
- W3166684145 cites W3091928799 @default.
- W3166684145 cites W3092192687 @default.
- W3166684145 cites W3093768302 @default.
- W3166684145 cites W3095497867 @default.
- W3166684145 cites W3095499424 @default.
- W3166684145 cites W3095553034 @default.
- W3166684145 cites W3096068717 @default.
- W3166684145 cites W3096765247 @default.
- W3166684145 cites W3097640683 @default.
- W3166684145 cites W3098697637 @default.
- W3166684145 cites W3101256734 @default.
- W3166684145 cites W3101992496 @default.
- W3166684145 cites W3103843063 @default.
- W3166684145 cites W3106674684 @default.
- W3166684145 cites W3107112434 @default.
- W3166684145 cites W3108737416 @default.
- W3166684145 cites W3108980364 @default.
- W3166684145 cites W3110972717 @default.
- W3166684145 cites W3111638858 @default.