Computational enzyme design: Advances, hurdles and possible ways forward
2012 (English)In: Computational and Structural Biotechnology Journal, ISSN 2001-0370, Vol. 2, no 3, e201209009Article, review/survey (Refereed) Published
This 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.
Place, publisher, year, edition, pages
2012. Vol. 2, no 3, e201209009
enzyme design, computational chemistry, enzyme catalysis
IdentifiersURN: urn:nbn:se:kth:diva-101709DOI: 10.5936/csbj.201209009ScopusID: 2-s2.0-84902178089OAI: oai:DiVA.org:kth-101709DiVA: diva2:548769
QC 20150528. Updated from manuscript to article in journal.2012-08-312012-08-312015-05-28Bibliographically approved