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Diffusion of isobutane in silicalite studied by transition path sampling

✍ Scribed by Vlugt, Thijs J. H.; Dellago, Christoph; Smit, Berend

Book ID
120058002
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
644 KB
Volume
113
Category
Article
ISSN
0021-9606

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## Abstract Branch migration of the Holliday junction takes place at the center of the RuvA tetramer. To elucidate how branch migration occurs, umbrella sampling simulations were performed for complexes of the RuvA tetramer and Holliday junction DNA. Although conventional umbrella sampling simulati