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Diversity of chemical mechanisms in thioredoxin catalysis revealed by single-molecule force spectroscopy.
Perez-Jimenez R, Li J, Kosuri P, Sanchez-Romero I, Wiita AP, Rodriguez-Larrea D, Chueca A, Holmgren A, Miranda-Vizuete A, Becker K, Cho SH, Beckwith J, Gelhaye E, Jacquot JP, Gaucher EA, Sanchez-Ruiz JM, Berne BJ, Fernandez JM. Perez-Jimenez R, et al. Nat Struct Mol Biol. 2009 Aug;16(8):890-6. doi: 10.1038/nsmb.1627. Epub 2009 Jul 13. Nat Struct Mol Biol. 2009. PMID: 19597482 Free PMC article.
Serial replica exchange.
Hagen M, Kim B, Liu P, Friesner RA, Berne BJ. Hagen M, et al. J Phys Chem B. 2007 Feb 15;111(6):1416-23. doi: 10.1021/jp064479e. Epub 2007 Jan 24. J Phys Chem B. 2007. PMID: 17249714 Free PMC article.
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Banks JL, Beard HS, Cao Y, Cho AE, Damm W, Farid R, Felts AK, Halgren TA, Mainz DT, Maple JR, Murphy R, Philipp DM, Repasky MP, Zhang LY, Berne BJ, Friesner RA, Gallicchio E, Levy RM. Banks JL, et al. J Comput Chem. 2005 Dec;26(16):1752-80. doi: 10.1002/jcc.20292. J Comput Chem. 2005. PMID: 16211539 Free PMC article. Review.
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