title: Computational Enzyme Design: Advances, hurdles and possible ways forward.
abstract: 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.
authors.affiliation: Applied Physical Chemistry, KTH Royal Institute of Technology, Teknikringen 30, SE-100 44, Stockholm, Sweden.
authors.forename: Mats
authors.initials: M
authors.lastname: Linder