computational protein engineering bridging the gap between rational design and laboratory evolution计算蛋白质工程设计合理和实验室之间的鸿沟方面进化.pdf

Int. J. Mol. Sci. 2012, 13, 12428-12460; doi:10.3390/ijms131012428 OPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Review Computational Protein Engineering: Bridging the Gap between Rational Design and Laboratory Evolution Alexandre Barrozo 1, Rok Borstnar 1,2, Gaël Marloie 1 and Shina Caroline Lynn Kamerlin 1,* 1 Department of Cell and Molecular Biology, Uppsala Biomedical Center (BMC), Uppsala University, Box 596, S-751 24 Uppsala, Sweden; E-Mails: alexandre.barrozo@icm.uu.se (A.B.); rok.borstnar@ki.si (R.B.); gael.marloie@icm.uu.se (G.M.) 2 Laboratory for Biocomputing and Bioinformatics, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia * Author to whom correspondence should be addressed; E-Mail: kamerlin@icm.uu.se; Tel.: +46-18-471-4423; Fax: +46-18-530-396. Received: 20 August 2012; in revised form: 16 September 2012 / Accepted: 17 September 2012 / Published: 28 September 2012 Abstract: Enzymes are tremendously proficient catalysts, which can be used as extracellular catalysts for a whole host of processes, from chemical synthesis to the generation of novel biofuels. For them to be more amenable to the needs of biotechnology, however, it is often necessary to be able to manipulate their physico-chemical properties in an efficient and streamlined manner, and, ideally, to be able to train them to c