Matches in SemOpenAlex for { <https://semopenalex.org/work/W2770119354> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W2770119354 abstract "Reconstructing the energy landscape of a protein holds the key to characterizing its structural dynamics and function [1]. While the disparate spatio-temporal scales spanned by the slow dynamics challenge reconstruction in wet and dry laboratories, computational efforts have had recent success on proteins where a wealth of experimentally-known structures can be exploited to extract modes of motion. In [2], the authors propose the SoPriM method that extracts principle components (PCs) and utilizes them as variables of the structure space of interest. Stochastic optimization is employed to sample the structure space and its associated energy landscape in the defined varible space. We refer to this algorithm as SoPriM-PCA and compare it here to SoPriM-NMA, which investigates whether the landscape can be reconstructed with knowledge of modes of motion (normal modes) extracted from one single known structure. Some representative results are shown in Figure 1, where structures obtained by SoPriM-PCA and those obtained by SoPriM-NMA for the H-Ras enzyme are compared via color-coded projections onto the top two variables utilized by each algorithm. The results show that precious information can be obtained on the energy landscape even when one structural model is available. The presented work opens up interesting venues of research on structure-based inference of dynamics. Acknowledgment: This work is supported in part by NSF Grant No. 1421001 to AS and NSF Grant No. 1440581 to AS and EP. Computations were run on ARGO, a research computing cluster provided by the Office of Research Computing at George Mason University, VA (URL: http://orc.gmu.edu)." @default.
- W2770119354 created "2017-12-04" @default.
- W2770119354 creator A5026774131 @default.
- W2770119354 creator A5044722808 @default.
- W2770119354 creator A5076782497 @default.
- W2770119354 creator A5082835318 @default.
- W2770119354 date "2017-10-01" @default.
- W2770119354 modified "2023-09-25" @default.
- W2770119354 title "Out of one, many: Exploiting intrinsic motions to explore protein structure spaces" @default.
- W2770119354 cites W1982475596 @default.
- W2770119354 cites W1999040803 @default.
- W2770119354 cites W2056637556 @default.
- W2770119354 cites W2066962978 @default.
- W2770119354 cites W2069777230 @default.
- W2770119354 cites W2077743314 @default.
- W2770119354 cites W2087148323 @default.
- W2770119354 cites W2103237643 @default.
- W2770119354 cites W2142595184 @default.
- W2770119354 cites W2154319440 @default.
- W2770119354 cites W2165550831 @default.
- W2770119354 cites W2343931134 @default.
- W2770119354 cites W2463055951 @default.
- W2770119354 cites W2509964510 @default.
- W2770119354 cites W2552685162 @default.
- W2770119354 cites W2749303406 @default.
- W2770119354 cites W2200755474 @default.
- W2770119354 doi "https://doi.org/10.1109/iccabs.2017.8114290" @default.
- W2770119354 hasPublicationYear "2017" @default.
- W2770119354 type Work @default.
- W2770119354 sameAs 2770119354 @default.
- W2770119354 citedByCount "0" @default.
- W2770119354 crossrefType "proceedings-article" @default.
- W2770119354 hasAuthorship W2770119354A5026774131 @default.
- W2770119354 hasAuthorship W2770119354A5044722808 @default.
- W2770119354 hasAuthorship W2770119354A5076782497 @default.
- W2770119354 hasAuthorship W2770119354A5082835318 @default.
- W2770119354 hasConcept C104114177 @default.
- W2770119354 hasConcept C111919701 @default.
- W2770119354 hasConcept C11413529 @default.
- W2770119354 hasConcept C119621388 @default.
- W2770119354 hasConcept C121332964 @default.
- W2770119354 hasConcept C124101348 @default.
- W2770119354 hasConcept C146159030 @default.
- W2770119354 hasConcept C154945302 @default.
- W2770119354 hasConcept C2776214188 @default.
- W2770119354 hasConcept C2778572836 @default.
- W2770119354 hasConcept C41008148 @default.
- W2770119354 hasConcept C45374587 @default.
- W2770119354 hasConcept C80444323 @default.
- W2770119354 hasConcept C97355855 @default.
- W2770119354 hasConceptScore W2770119354C104114177 @default.
- W2770119354 hasConceptScore W2770119354C111919701 @default.
- W2770119354 hasConceptScore W2770119354C11413529 @default.
- W2770119354 hasConceptScore W2770119354C119621388 @default.
- W2770119354 hasConceptScore W2770119354C121332964 @default.
- W2770119354 hasConceptScore W2770119354C124101348 @default.
- W2770119354 hasConceptScore W2770119354C146159030 @default.
- W2770119354 hasConceptScore W2770119354C154945302 @default.
- W2770119354 hasConceptScore W2770119354C2776214188 @default.
- W2770119354 hasConceptScore W2770119354C2778572836 @default.
- W2770119354 hasConceptScore W2770119354C41008148 @default.
- W2770119354 hasConceptScore W2770119354C45374587 @default.
- W2770119354 hasConceptScore W2770119354C80444323 @default.
- W2770119354 hasConceptScore W2770119354C97355855 @default.
- W2770119354 hasLocation W27701193541 @default.
- W2770119354 hasOpenAccess W2770119354 @default.
- W2770119354 hasPrimaryLocation W27701193541 @default.
- W2770119354 hasRelatedWork W112848844 @default.
- W2770119354 hasRelatedWork W2004181454 @default.
- W2770119354 hasRelatedWork W2121377181 @default.
- W2770119354 hasRelatedWork W2185261148 @default.
- W2770119354 hasRelatedWork W2313002107 @default.
- W2770119354 hasRelatedWork W2404087100 @default.
- W2770119354 hasRelatedWork W2404407568 @default.
- W2770119354 hasRelatedWork W2480350265 @default.
- W2770119354 hasRelatedWork W2613686065 @default.
- W2770119354 hasRelatedWork W2904807818 @default.
- W2770119354 hasRelatedWork W2913072189 @default.
- W2770119354 hasRelatedWork W2942344234 @default.
- W2770119354 hasRelatedWork W2944315281 @default.
- W2770119354 hasRelatedWork W2963241011 @default.
- W2770119354 hasRelatedWork W2982235542 @default.
- W2770119354 hasRelatedWork W3090811446 @default.
- W2770119354 hasRelatedWork W3093291248 @default.
- W2770119354 hasRelatedWork W3100793920 @default.
- W2770119354 hasRelatedWork W3164386808 @default.
- W2770119354 hasRelatedWork W3037033093 @default.
- W2770119354 isParatext "false" @default.
- W2770119354 isRetracted "false" @default.
- W2770119354 magId "2770119354" @default.
- W2770119354 workType "article" @default.