FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2049085004> ?p ?o ?g. }

• W2049085004 endingPage "3037" @default.
• W2049085004 startingPage "3029" @default.
• W2049085004 abstract "Characterizing the energy landscape of proteins at atomic resolution is still a very challenging problem, since it simultaneously requires high accuracy in estimating specific interactions and high efficiency in conformational sampling. Here, for these two requirements to meet, we extended the self-learning multiscale simulation (SLMS) method developed recently and applied it to the designed β-hairpin CLN025. The SLMS integrates all-atom and coarse-grained (CG) models in an iterative way such that the conformational sampling is performed by the CG model, the AA energy is used to calibrate the energy landscape, and the CG model is improved by the calibrated energy landscape. We extended the SLMS in two aspects, use of the energy decomposition for self-learning of the CG potential and a two-bead/residue CG model. The results show that the self-learning greatly improved the CG potential, and with the derived CG potential, the β-hairpin CLN025 robustly folded to the native structure. The self-learning iteration progressively enhanced the context dependence in the CG potential and increased the energy gap between the native and the denatured states of the CG model, leading to a funnel-like energy landscape. By using the SLMS method, without prior knowledge of the native structure but with the help of the AA energy, we can obtain a tailor-made CG potential specific to the target protein. The method can be useful for de novo structure prediction as well." @default.
• W2049085004 created "2016-06-24" @default.
• W2049085004 creator A5058504410 @default.
• W2049085004 creator A5071626951 @default.
• W2049085004 date "2010-11-01" @default.
• W2049085004 modified "2023-10-16" @default.
• W2049085004 title "Characterizing Protein Energy Landscape by Self-Learning Multiscale Simulations: Application to a Designed β-Hairpin" @default.
• W2049085004 cites W1648597485 @default.
• W2049085004 cites W1965838279 @default.
• W2049085004 cites W1966743338 @default.
• W2049085004 cites W1968707111 @default.
• W2049085004 cites W1969937114 @default.
• W2049085004 cites W1973243106 @default.
• W2049085004 cites W1978308218 @default.
• W2049085004 cites W1985225270 @default.
• W2049085004 cites W1986356457 @default.
• W2049085004 cites W1991342429 @default.
• W2049085004 cites W2000963503 @default.
• W2049085004 cites W2004461664 @default.
• W2049085004 cites W2014153348 @default.
• W2049085004 cites W2015403140 @default.
• W2049085004 cites W2016790830 @default.
• W2049085004 cites W2018117041 @default.
• W2049085004 cites W2018783142 @default.
• W2049085004 cites W2021438484 @default.
• W2049085004 cites W2022320562 @default.
• W2049085004 cites W2025859527 @default.
• W2049085004 cites W2029667189 @default.
• W2049085004 cites W2033529815 @default.
• W2049085004 cites W2033738243 @default.
• W2049085004 cites W2040809566 @default.
• W2049085004 cites W2051039246 @default.
• W2049085004 cites W2055378604 @default.
• W2049085004 cites W2058267477 @default.
• W2049085004 cites W2060036077 @default.
• W2049085004 cites W2061308254 @default.
• W2049085004 cites W2061768183 @default.
• W2049085004 cites W2065864578 @default.
• W2049085004 cites W2069351146 @default.
• W2049085004 cites W2074223828 @default.
• W2049085004 cites W2088758086 @default.
• W2049085004 cites W2090913292 @default.
• W2049085004 cites W2097412382 @default.
• W2049085004 cites W2106140689 @default.
• W2049085004 cites W2111355750 @default.
• W2049085004 cites W2112154906 @default.
• W2049085004 cites W2118818261 @default.
• W2049085004 cites W2119267663 @default.
• W2049085004 cites W2139236870 @default.
• W2049085004 cites W2139425469 @default.
• W2049085004 cites W2142694980 @default.
• W2049085004 cites W2144288821 @default.
• W2049085004 cites W2144775933 @default.
• W2049085004 cites W2144829210 @default.
• W2049085004 cites W2158476854 @default.
• W2049085004 cites W2159565091 @default.
• W2049085004 cites W2163957216 @default.
• W2049085004 cites W2164270482 @default.
• W2049085004 cites W2168536864 @default.
• W2049085004 cites W2178631187 @default.
• W2049085004 cites W4234862683 @default.
• W2049085004 doi "https://doi.org/10.1016/j.bpj.2010.08.041" @default.
• W2049085004 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2965946" @default.
• W2049085004 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21044601" @default.
• W2049085004 hasPublicationYear "2010" @default.
• W2049085004 type Work @default.
• W2049085004 sameAs 2049085004 @default.
• W2049085004 citedByCount "16" @default.
• W2049085004 countsByYear W20490850042012 @default.
• W2049085004 countsByYear W20490850042013 @default.
• W2049085004 countsByYear W20490850042014 @default.
• W2049085004 countsByYear W20490850042015 @default.
• W2049085004 countsByYear W20490850042017 @default.
• W2049085004 countsByYear W20490850042018 @default.
• W2049085004 countsByYear W20490850042019 @default.
• W2049085004 countsByYear W20490850042021 @default.
• W2049085004 countsByYear W20490850042022 @default.
• W2049085004 crossrefType "journal-article" @default.
• W2049085004 hasAuthorship W2049085004A5058504410 @default.
• W2049085004 hasAuthorship W2049085004A5071626951 @default.
• W2049085004 hasBestOaLocation W20490850041 @default.
• W2049085004 hasConcept C119621388 @default.
• W2049085004 hasConcept C121332964 @default.
• W2049085004 hasConcept C147597530 @default.
• W2049085004 hasConcept C151730666 @default.
• W2049085004 hasConcept C17435862 @default.
• W2049085004 hasConcept C178790620 @default.
• W2049085004 hasConcept C185592680 @default.
• W2049085004 hasConcept C186060115 @default.
• W2049085004 hasConcept C186370098 @default.
• W2049085004 hasConcept C2779343474 @default.
• W2049085004 hasConcept C41008148 @default.
• W2049085004 hasConcept C55493867 @default.
• W2049085004 hasConcept C59593255 @default.
• W2049085004 hasConcept C62520636 @default.
• W2049085004 hasConcept C86803240 @default.
• W2049085004 hasConceptScore W2049085004C119621388 @default.
• W2049085004 hasConceptScore W2049085004C121332964 @default.

• next