FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1968726579> ?p ?o ?g. }

• W1968726579 endingPage "1392" @default.
• W1968726579 startingPage "1379" @default.
• W1968726579 abstract "Macromolecular assemblies often display a hierarchical organization of macromolecules or their sub-assemblies. To model this, we have formulated a space warping method that enables capturing overall macromolecular structure and dynamics via a set of coarse-grained order parameters (OPs). This article is the first of two describing the construction and computational implementation of an additional class of OPs that has built into them the hierarchical architecture of macromolecular assemblies. To accomplish this, first, the system is divided into subsystems, each of which is described via a representative set of OPs. Then, a global set of variables is constructed from these subsystem-centered OPs to capture overall system organization. Dynamical properties of the resulting OPs are compared to those of our previous nonhierarchical ones, and implied conceptual and computational advantages are discussed for a 100ns, 2 million atom solvated Human Papillomavirus-like particle simulation. In the second article, the hierarchical OPs are shown to enable a multiscale analysis that starts with the N-atom Liouville equation and yields rigorous Langevin equations of stochastic OP dynamics. The latter is demonstrated via a force-field based simulation algorithm that probes key structural transition pathways, simultaneously accounting for all-atom details and overall structure." @default.
• W1968726579 created "2016-06-24" @default.
• W1968726579 creator A5070279915 @default.
• W1968726579 creator A5076611324 @default.
• W1968726579 date "2012-03-30" @default.
• W1968726579 modified "2023-09-26" @default.
• W1968726579 title "Hierarchical Order Parameters for Macromolecular Assembly Simulations. 1. Construction and Dynamical Properties of Order Parameters" @default.
• W1968726579 cites W1563152344 @default.
• W1968726579 cites W1592039765 @default.
• W1968726579 cites W1965437818 @default.
• W1968726579 cites W1971370134 @default.
• W1968726579 cites W1972280558 @default.
• W1968726579 cites W1973749450 @default.
• W1968726579 cites W1977146890 @default.
• W1968726579 cites W1977695418 @default.
• W1968726579 cites W1980676847 @default.
• W1968726579 cites W1981177120 @default.
• W1968726579 cites W1981635966 @default.
• W1968726579 cites W1984909504 @default.
• W1968726579 cites W1995778514 @default.
• W1968726579 cites W1999138060 @default.
• W1968726579 cites W2013643300 @default.
• W1968726579 cites W2014804207 @default.
• W1968726579 cites W2019078907 @default.
• W1968726579 cites W2021032453 @default.
• W1968726579 cites W2021214016 @default.
• W1968726579 cites W2022401457 @default.
• W1968726579 cites W2024351690 @default.
• W1968726579 cites W2026092362 @default.
• W1968726579 cites W2026428297 @default.
• W1968726579 cites W2027469933 @default.
• W1968726579 cites W2029409597 @default.
• W1968726579 cites W2058349112 @default.
• W1968726579 cites W2058582048 @default.
• W1968726579 cites W2062894679 @default.
• W1968726579 cites W2064068263 @default.
• W1968726579 cites W2067530089 @default.
• W1968726579 cites W2074253966 @default.
• W1968726579 cites W2076352514 @default.
• W1968726579 cites W2078253946 @default.
• W1968726579 cites W2079409367 @default.
• W1968726579 cites W2089722613 @default.
• W1968726579 cites W2094707581 @default.
• W1968726579 cites W2125371586 @default.
• W1968726579 cites W2132589721 @default.
• W1968726579 cites W2138174600 @default.
• W1968726579 cites W2139425469 @default.
• W1968726579 cites W2141912461 @default.
• W1968726579 cites W2146332813 @default.
• W1968726579 cites W2150981663 @default.
• W1968726579 cites W303044145 @default.
• W1968726579 doi "https://doi.org/10.1021/ct200574x" @default.
• W1968726579 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3361912" @default.
• W1968726579 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22661911" @default.
• W1968726579 hasPublicationYear "2012" @default.
• W1968726579 type Work @default.
• W1968726579 sameAs 1968726579 @default.
• W1968726579 citedByCount "12" @default.
• W1968726579 countsByYear W19687265792012 @default.
• W1968726579 countsByYear W19687265792013 @default.
• W1968726579 countsByYear W19687265792014 @default.
• W1968726579 countsByYear W19687265792015 @default.
• W1968726579 countsByYear W19687265792016 @default.
• W1968726579 crossrefType "journal-article" @default.
• W1968726579 hasAuthorship W1968726579A5070279915 @default.
• W1968726579 hasAuthorship W1968726579A5076611324 @default.
• W1968726579 hasBestOaLocation W19687265792 @default.
• W1968726579 hasConcept C11413529 @default.
• W1968726579 hasConcept C121332964 @default.
• W1968726579 hasConcept C121864883 @default.
• W1968726579 hasConcept C177264268 @default.
• W1968726579 hasConcept C185592680 @default.
• W1968726579 hasConcept C199360897 @default.
• W1968726579 hasConcept C202444582 @default.
• W1968726579 hasConcept C204389451 @default.
• W1968726579 hasConcept C26517878 @default.
• W1968726579 hasConcept C33923547 @default.
• W1968726579 hasConcept C38652104 @default.
• W1968726579 hasConcept C41008148 @default.
• W1968726579 hasConcept C55493867 @default.
• W1968726579 hasConcept C62520636 @default.
• W1968726579 hasConcept C79379906 @default.
• W1968726579 hasConcept C80444323 @default.
• W1968726579 hasConcept C9652623 @default.
• W1968726579 hasConceptScore W1968726579C11413529 @default.
• W1968726579 hasConceptScore W1968726579C121332964 @default.
• W1968726579 hasConceptScore W1968726579C121864883 @default.
• W1968726579 hasConceptScore W1968726579C177264268 @default.
• W1968726579 hasConceptScore W1968726579C185592680 @default.
• W1968726579 hasConceptScore W1968726579C199360897 @default.
• W1968726579 hasConceptScore W1968726579C202444582 @default.
• W1968726579 hasConceptScore W1968726579C204389451 @default.
• W1968726579 hasConceptScore W1968726579C26517878 @default.
• W1968726579 hasConceptScore W1968726579C33923547 @default.
• W1968726579 hasConceptScore W1968726579C38652104 @default.
• W1968726579 hasConceptScore W1968726579C41008148 @default.
• W1968726579 hasConceptScore W1968726579C55493867 @default.
• W1968726579 hasConceptScore W1968726579C62520636 @default.

• next