Journal
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
Volume 582, Issue -, Pages 68-79Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.abb.2015.03.013
Keywords
Protein design; De novo design; QM/MM; Molecular dynamics; Kemp elimination; Diels-Alder; Retro-Aldolase
Categories
Funding
- Spanish Ministerio de Economia y Competitividad [CTQ2012-36253-C03]
- Universitat Jaume I - Spain [P1.1B2014-26]
- Generalitat Valenciana - Spain [PROMETEOII/2014/022, ACOMP/2014/277]
- Polish National Center for Science (NCN) [2011/02/A/ST4/00246]
- Polish Ministry of Science and Higher Education (Iuventus Plus program) [0478/IP3/2015/73]
- USA National Institute of Health [NIH R01 GM065368]
Ask authors/readers for more resources
In this contribution, recent developments in the design of biocatalysts are reviewed with particular emphasis in the de novo strategy. Studies based on three different reactions, Kemp elimination, Diels- Alder and Retro-Aldolase, are used to illustrate different success achieved during the last years. Finally, a section is devoted to the particular case of designed metalloenzymes. As a general conclusion, the interplay between new and more sophisticated engineering protocols and computational methods, based on molecular dynamics simulations with Quantum Mechanics/Molecular Mechanics potentials and fully flexible models, seems to constitute the bed rock for present and future successful design strategies. (C) 2015 Elsevier Inc. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available