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Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc Natl Acad Sci U S A. 2012 Jun 26;109(26):10358-63. doi: 10.1073/pnas.1121063109. Epub 2012 Jun 8.
Proc Natl Acad Sci U S A. 2012.
PMID: 22685214
Free PMC article.
Directed evolution of two computationally designed Kemp eliminases, KE07 and KE70, led to low to moderately efficient enzymes (k(cat)/K(m) values of 5 10(4) M(-1)s(-1)). Here we describe the optimization of a third design, KE59. ...Sixteen rounds of mutation and sel …
Directed evolution of two computationally designed Kemp eliminases, KE07 and KE70, led to low to moderately efficient enzymes (k(cat)/K(m …
Halogen bonding: unifying perspectives on organic and inorganic cases.
Tawfik M, Donald KJ.
Tawfik M, et al.
J Phys Chem A. 2014 Oct 30;118(43):10090-100. doi: 10.1021/jp507879w. Epub 2014 Oct 17.
J Phys Chem A. 2014.
PMID: 25325704
The actual value of n (5.5 < n < 7.0 for deltaE) for each class is determined evidently by the availability of the lone pairs on the base and is insensitive to M such that all of the complexes of a given base fall on the same curve for y versus r. Remarkably, several
…The actual value of n (5.5 < n < 7.0 for deltaE) for each class is determined evidently by the availability of the lone pairs on the b
…
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The weak helps the strong: sigma-holes and the stability of MF(4)·base complexes.
Donald KJ, Tawfik M.
Donald KJ, et al.
J Phys Chem A. 2013 Dec 27;117(51):14176-83. doi: 10.1021/jp407657d. Epub 2013 Dec 6.
J Phys Chem A. 2013.
PMID: 24147896
Bonding interactions between an electron-deficient region (a sigma-hole) on M and electron donors in MF4-Base complexes, where M = C, Si, Ge, Sn, and Pb, are examined and rationalized. These interactions are seen to transition from weak primarily noncovalent interac …
Bonding interactions between an electron-deficient region (a sigma-hole) on M and electron donors in MF4-Base complexes, where M …
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