Abstract
The widespread interest in enzymes stem from their ability to catalyze chemical reactions under mild and ecologically friendly conditions with unparalleled catalytic proficiencies. While thousands of naturally occurring enzymes have been identified and characterized, there are still numerous important applications for which there are no biological catalysts capable of performing the desired chemical transformation. In order to engineer enzymes for which there is no natural starting point, efforts using a combination of quantum chemistry and force-field based protein molecular modeling have led to the design of novel proteins capable of catalyzing chemical reactions not catalyzed by naturally occurring enzymes. Here we discuss the current status and potential avenues to pursue as the field of computational enzyme design moves forward.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 87-94 |
| Number of pages | 8 |
| Journal | Current Opinion in Structural Biology |
| Volume | 27 |
| Issue number | 1 |
| DOIs | |
| State | Published - 2014 |
Fingerprint
ASJC Scopus subject areas
- Molecular Biology
- Structural Biology
Cite this
Computational enzyme design : Transitioning from catalytic proteins to enzymes. / Mak, Wai Shun; Siegel, Justin.
In: Current Opinion in Structural Biology, Vol. 27, No. 1, 2014, p. 87-94.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Computational enzyme design
T2 - Transitioning from catalytic proteins to enzymes
AU - Mak, Wai Shun
AU - Siegel, Justin
PY - 2014
Y1 - 2014
N2 - The widespread interest in enzymes stem from their ability to catalyze chemical reactions under mild and ecologically friendly conditions with unparalleled catalytic proficiencies. While thousands of naturally occurring enzymes have been identified and characterized, there are still numerous important applications for which there are no biological catalysts capable of performing the desired chemical transformation. In order to engineer enzymes for which there is no natural starting point, efforts using a combination of quantum chemistry and force-field based protein molecular modeling have led to the design of novel proteins capable of catalyzing chemical reactions not catalyzed by naturally occurring enzymes. Here we discuss the current status and potential avenues to pursue as the field of computational enzyme design moves forward.
AB - The widespread interest in enzymes stem from their ability to catalyze chemical reactions under mild and ecologically friendly conditions with unparalleled catalytic proficiencies. While thousands of naturally occurring enzymes have been identified and characterized, there are still numerous important applications for which there are no biological catalysts capable of performing the desired chemical transformation. In order to engineer enzymes for which there is no natural starting point, efforts using a combination of quantum chemistry and force-field based protein molecular modeling have led to the design of novel proteins capable of catalyzing chemical reactions not catalyzed by naturally occurring enzymes. Here we discuss the current status and potential avenues to pursue as the field of computational enzyme design moves forward.
UR - http://www.scopus.com/inward/record.url?scp=84903827354&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84903827354&partnerID=8YFLogxK
U2 - 10.1016/j.sbi.2014.05.010
DO - 10.1016/j.sbi.2014.05.010
M3 - Article
C2 - 25005925
AN - SCOPUS:84903827354
VL - 27
SP - 87
EP - 94
JO - Current Opinion in Structural Biology
JF - Current Opinion in Structural Biology
SN - 0959-440X
IS - 1
ER -