COMPUTATIONAL ENZYME DESIGN: ADVANCES, HURDLES AND POSSIBLE WAYS FORWARD
- Linder, Mats
Publication date
September 2012
DOI Publisher
Research Network of Computational and Structural Biotechnology. Published by Elsevier B.V.Abstract
AbstractThis mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Finally, a molecular dynamics-based approach for evaluating and refining computational designs is presented
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