Matches in SemOpenAlex for { <https://semopenalex.org/work/W2049074426> ?p ?o ?g. }
- W2049074426 endingPage "137" @default.
- W2049074426 startingPage "127" @default.
- W2049074426 abstract "Muscle contractions are driven by cyclic conformational changes of myosin, whose molecular mechanisms of operation are being elucidated by recent advances in crystallographic studies and single molecule experiments. To complement such structural studies and consider the energetics of the conformational changes of myosin head, umbrella sampling molecular dynamics (MD) simulations were performed with the all-atom model of the scallop myosin sub-fragment 1 (S1) with a bound ATP in solution in explicit water using the crystallographic near-rigor and transition state conformations as two references. The constraints on RMSD reaction coordinates used for the umbrella sampling were found to steer the conformational changes efficiently, and relatively close correlations have been observed between the set of characteristic structural changes including the lever arm rotation and the closing of the nucleotide binding pocket. The lever arm angle and key residue interaction distances in the nucleotide binding pocket and the relay helix show gradual changes along the recovery stroke reaction coordinate, consistent with previous crystallographic and computational minimum energy studies. Thermal fluctuations, however, appear to make the switch-2 coordination of ATP more flexible than suggested by crystal structures. The local solvation environment of the fluorescence probe, Trp 507 (scallop numbering), also appears highly mobile in the presence of thermal fluctuations." @default.
- W2049074426 created "2016-06-24" @default.
- W2049074426 creator A5058967210 @default.
- W2049074426 date "2007-01-01" @default.
- W2049074426 modified "2023-10-09" @default.
- W2049074426 title "Exploration of the conformational space of myosin recovery stroke via molecular dynamics" @default.
- W2049074426 cites W104354955 @default.
- W2049074426 cites W1482991584 @default.
- W2049074426 cites W1544251730 @default.
- W2049074426 cites W1753746324 @default.
- W2049074426 cites W1893057187 @default.
- W2049074426 cites W1964758803 @default.
- W2049074426 cites W1969933847 @default.
- W2049074426 cites W1970488202 @default.
- W2049074426 cites W1971584686 @default.
- W2049074426 cites W1976499671 @default.
- W2049074426 cites W1978498560 @default.
- W2049074426 cites W1988715261 @default.
- W2049074426 cites W1989906072 @default.
- W2049074426 cites W1990804119 @default.
- W2049074426 cites W1991794210 @default.
- W2049074426 cites W1993177346 @default.
- W2049074426 cites W1993803974 @default.
- W2049074426 cites W2003229373 @default.
- W2049074426 cites W2010337484 @default.
- W2049074426 cites W2015642465 @default.
- W2049074426 cites W2016519098 @default.
- W2049074426 cites W2022879191 @default.
- W2049074426 cites W2026145805 @default.
- W2049074426 cites W2027408247 @default.
- W2049074426 cites W2030800594 @default.
- W2049074426 cites W2035672721 @default.
- W2049074426 cites W2043429268 @default.
- W2049074426 cites W2043664506 @default.
- W2049074426 cites W2044629144 @default.
- W2049074426 cites W2046167970 @default.
- W2049074426 cites W2049902647 @default.
- W2049074426 cites W2050366392 @default.
- W2049074426 cites W2051039246 @default.
- W2049074426 cites W2052612332 @default.
- W2049074426 cites W2062238290 @default.
- W2049074426 cites W2062713862 @default.
- W2049074426 cites W2067174909 @default.
- W2049074426 cites W2067425020 @default.
- W2049074426 cites W2069777230 @default.
- W2049074426 cites W2069953906 @default.
- W2049074426 cites W2070554031 @default.
- W2049074426 cites W2079609481 @default.
- W2049074426 cites W2080655845 @default.
- W2049074426 cites W2082494589 @default.
- W2049074426 cites W2082847177 @default.
- W2049074426 cites W2096380713 @default.
- W2049074426 cites W2100833559 @default.
- W2049074426 cites W2102145519 @default.
- W2049074426 cites W2103245224 @default.
- W2049074426 cites W2103636724 @default.
- W2049074426 cites W2107007872 @default.
- W2049074426 cites W2107257584 @default.
- W2049074426 cites W2112154906 @default.
- W2049074426 cites W2113936160 @default.
- W2049074426 cites W2116783601 @default.
- W2049074426 cites W2129472062 @default.
- W2049074426 cites W2136647448 @default.
- W2049074426 cites W2138231995 @default.
- W2049074426 cites W2142883438 @default.
- W2049074426 cites W2146462263 @default.
- W2049074426 cites W2149308779 @default.
- W2049074426 cites W2154535641 @default.
- W2049074426 cites W2154663686 @default.
- W2049074426 cites W2162166182 @default.
- W2049074426 cites W2166905169 @default.
- W2049074426 cites W2167460012 @default.
- W2049074426 cites W2167486610 @default.
- W2049074426 cites W2170146581 @default.
- W2049074426 cites W2206790000 @default.
- W2049074426 doi "https://doi.org/10.1016/j.bpc.2006.07.001" @default.
- W2049074426 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16889886" @default.
- W2049074426 hasPublicationYear "2007" @default.
- W2049074426 type Work @default.
- W2049074426 sameAs 2049074426 @default.
- W2049074426 citedByCount "17" @default.
- W2049074426 countsByYear W20490744262012 @default.
- W2049074426 countsByYear W20490744262013 @default.
- W2049074426 countsByYear W20490744262017 @default.
- W2049074426 countsByYear W20490744262018 @default.
- W2049074426 countsByYear W20490744262023 @default.
- W2049074426 crossrefType "journal-article" @default.
- W2049074426 hasAuthorship W2049074426A5058967210 @default.
- W2049074426 hasConcept C12554922 @default.
- W2049074426 hasConcept C128747166 @default.
- W2049074426 hasConcept C147597530 @default.
- W2049074426 hasConcept C15954220 @default.
- W2049074426 hasConcept C160408235 @default.
- W2049074426 hasConcept C185592680 @default.
- W2049074426 hasConcept C18903297 @default.
- W2049074426 hasConcept C2777339483 @default.
- W2049074426 hasConcept C2778530040 @default.
- W2049074426 hasConcept C2779965526 @default.