Kemp elimination catalysts by computational enzyme design

By Daniela Röthlisberger, O. Khersonsky, Andrew M. Wollacott, Lin Jiang, Jason Dechancie, Jamie L. Betker, Jasmine L. Gallaher, Eric A. Althoff, A. Zanghellini, Orly Dym and 4 more. 2008

1,281 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. David Baker
2. Tanja Kortemme
3. Jeffrey J. Gray
4. I. Samish
5. Jens Meiler
6. Po-Ssu Huang
7. David E. Kim
8. Rhiju Das

In Molecular Biology

1. David Baker
2. Tanja Kortemme
3. Jeffrey J. Gray
4. I. Samish
5. Jens Meiler
6. Po-Ssu Huang
7. Rhiju Das
8. Xingjie Pan

In Computational Chemistry & Drug Discovery

1. David Baker
2. Jeffrey J. Gray
3. Sergey Ovchinnikov
4. I. Samish
5. David E. Kim
6. Tanja Kortemme
7. Po-Ssu Huang
8. Ivan V. Anishchenko

Citations in the corpus

• Protein sequence design with a learned potential (2022, background): “omputational protein design has emerged as a powerful tool for rational protein design, enabling signi fi cant achievements in the engineering of therapeutics 1 – 3 , 4 – 6 , enzymes 7,8 , and more 9 – 11 .”
• Computational Protein Design with Deep Learning Neural Networks (2018, background): “1038/s41598-018-24760-x length is longer than 50, and (4) the structure does not have any DNA/RNA molecules.”
• Rosetta3: An Object-Oriented Software Suite for the Simulation and Design of Macromolecules (2011, positive): “…et al. , 2007; Raman et al. , 2009; Simons et al. , 1997) enzdes Design a protein active site to catalyze a chemical reaction ( Jiang et al. , 2008; Rothlisberger et al. , 2008; Zanghellini et al. , 2006) FixedBBProteinDesign Redesign the amino acids on a fixed protein backbone (Dantas et al. ,…”
• Engineering the third wave of biocatalysis (2012, methodology): “HO2C (1R,2S,5S)-6,6-dimethyl-3azabicyclo[3,1,0] hexane-2carboxylic acid (28) A fungal amine oxidase was improved for expression in E.”
• Beyond directed evolution - semi-rational protein engineering and design (2010, positive): “While the two synthetic biocatalysts for the Kemp elimination [29] and retroaldol reaction [30] are well established in the literature, the most recent de novo design of a Diels-Alderase (DA) by Baker and collaborators represents another milestone in enzyme engineering [31••].”
• Protein sequence design with a learned potential (2020, background): “These advances have led to significant achievements in the engineering of therapeutics [13, 14, 15], biosensors [16, 17, 18], enzymes [19, 20, 21, 22], and more [23, 24, 25, 26, 27].”