Matches in SemOpenAlex for { <https://semopenalex.org/work/W2402110750> ?p ?o ?g. }
- W2402110750 abstract "We present a new method that enables the identification and analysis of both transition and metastable conformational states from atomistic or coarse-grained molecular dynamics (MD) trajectories. Our algorithm is presented and studied by using both analytical and actual examples from MD simulations of the helix-forming peptide Ala5, and of a larger system, the epidermal growth factor receptor (EGFR) protein. In all cases, our method identifies automatically the corresponding transition states and metastable conformations in an optimal way, with the input of a set of relevant coordinates, by capturing accurately the intrinsic slowest relaxation rate. Our approach provides a general and easy to implement analysis method that provides unique insight into the molecular mechanism and the rare but crucial rate limiting conformational pathways occurring in complex dynamical systems such as molecular trajectories." @default.
- W2402110750 created "2016-06-24" @default.
- W2402110750 creator A5025946266 @default.
- W2402110750 creator A5048889853 @default.
- W2402110750 creator A5055531660 @default.
- W2402110750 creator A5079404524 @default.
- W2402110750 creator A5089799904 @default.
- W2402110750 date "2016-05-13" @default.
- W2402110750 modified "2023-09-27" @default.
- W2402110750 title "Identification and Analysis of Transition and Metastable Markov States" @default.
- W2402110750 cites W1481282762 @default.
- W2402110750 cites W1964296596 @default.
- W2402110750 cites W1968324646 @default.
- W2402110750 cites W1976499671 @default.
- W2402110750 cites W1977867181 @default.
- W2402110750 cites W1979070806 @default.
- W2402110750 cites W1985070997 @default.
- W2402110750 cites W1990593157 @default.
- W2402110750 cites W1993177346 @default.
- W2402110750 cites W1995725738 @default.
- W2402110750 cites W2025899185 @default.
- W2402110750 cites W2030542905 @default.
- W2402110750 cites W2031273789 @default.
- W2402110750 cites W2047493638 @default.
- W2402110750 cites W2056211671 @default.
- W2402110750 cites W2063021109 @default.
- W2402110750 cites W2066083439 @default.
- W2402110750 cites W2067236515 @default.
- W2402110750 cites W2085213650 @default.
- W2402110750 cites W2088647884 @default.
- W2402110750 cites W2091707670 @default.
- W2402110750 cites W2093694964 @default.
- W2402110750 cites W2112154906 @default.
- W2402110750 cites W2117897850 @default.
- W2402110750 cites W2123768693 @default.
- W2402110750 cites W2135674818 @default.
- W2402110750 cites W2147848673 @default.
- W2402110750 cites W2148691151 @default.
- W2402110750 cites W2149655632 @default.
- W2402110750 cites W2160341881 @default.
- W2402110750 cites W2208231611 @default.
- W2402110750 cites W2232959879 @default.
- W2402110750 cites W2246932694 @default.
- W2402110750 cites W2277966900 @default.
- W2402110750 cites W2286317713 @default.
- W2402110750 cites W2317421918 @default.
- W2402110750 cites W2327355925 @default.
- W2402110750 cites W2964149432 @default.
- W2402110750 hasPublicationYear "2016" @default.
- W2402110750 type Work @default.
- W2402110750 sameAs 2402110750 @default.
- W2402110750 citedByCount "0" @default.
- W2402110750 crossrefType "journal-article" @default.
- W2402110750 hasAuthorship W2402110750A5025946266 @default.
- W2402110750 hasAuthorship W2402110750A5048889853 @default.
- W2402110750 hasAuthorship W2402110750A5055531660 @default.
- W2402110750 hasAuthorship W2402110750A5079404524 @default.
- W2402110750 hasAuthorship W2402110750A5089799904 @default.
- W2402110750 hasBestOaLocation W24021107501 @default.
- W2402110750 hasConcept C104317684 @default.
- W2402110750 hasConcept C105795698 @default.
- W2402110750 hasConcept C116834253 @default.
- W2402110750 hasConcept C119857082 @default.
- W2402110750 hasConcept C121332964 @default.
- W2402110750 hasConcept C121864883 @default.
- W2402110750 hasConcept C127413603 @default.
- W2402110750 hasConcept C147597530 @default.
- W2402110750 hasConcept C159467904 @default.
- W2402110750 hasConcept C161790260 @default.
- W2402110750 hasConcept C169760540 @default.
- W2402110750 hasConcept C177264268 @default.
- W2402110750 hasConcept C185592680 @default.
- W2402110750 hasConcept C186060115 @default.
- W2402110750 hasConcept C188198153 @default.
- W2402110750 hasConcept C194232998 @default.
- W2402110750 hasConcept C199360897 @default.
- W2402110750 hasConcept C2776029896 @default.
- W2402110750 hasConcept C33923547 @default.
- W2402110750 hasConcept C41008148 @default.
- W2402110750 hasConcept C55493867 @default.
- W2402110750 hasConcept C59593255 @default.
- W2402110750 hasConcept C59822182 @default.
- W2402110750 hasConcept C62520636 @default.
- W2402110750 hasConcept C70557757 @default.
- W2402110750 hasConcept C78519656 @default.
- W2402110750 hasConcept C86803240 @default.
- W2402110750 hasConcept C89031862 @default.
- W2402110750 hasConcept C89464430 @default.
- W2402110750 hasConcept C98763669 @default.
- W2402110750 hasConceptScore W2402110750C104317684 @default.
- W2402110750 hasConceptScore W2402110750C105795698 @default.
- W2402110750 hasConceptScore W2402110750C116834253 @default.
- W2402110750 hasConceptScore W2402110750C119857082 @default.
- W2402110750 hasConceptScore W2402110750C121332964 @default.
- W2402110750 hasConceptScore W2402110750C121864883 @default.
- W2402110750 hasConceptScore W2402110750C127413603 @default.
- W2402110750 hasConceptScore W2402110750C147597530 @default.
- W2402110750 hasConceptScore W2402110750C159467904 @default.
- W2402110750 hasConceptScore W2402110750C161790260 @default.
- W2402110750 hasConceptScore W2402110750C169760540 @default.