Iterative approach to computational enzyme design

Proceedings of the National Academy of Sciences of the United States of America

Volumn 109, Issue 10, 2012, Pages 3790-3795

  Privett, Heidi K ^a   Kiss, Gert ^b,e   Lee, Toni M ^a   Blomberg, Rebecca ^c,f   Chica, Roberto A ^c,g   Thomas, Leonard M ^d,h   Hilvert, Donald ^c   Houk, Kendall N ^b   Mayo, Stephen L ^a,d  

^a California Institute of Technology   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c ETH ZURICH   (Switzerland)

^d CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^e STANFORD UNIVERSITY   (United States)

^f University of Ottawa ^*  (Switzerland)

^g UNIVERSITY OF OTTAWA   (Canada)

^h UNIVERSITY OF OKLAHOMA   (United States)

Author keywords

Computational protein design; De novo enzyme design; Proton transfer

Indexed keywords

AMINO ACID; ENZYME; HG 1 PROTEIN; HG 2 ENZYME; HG 3 PROTEIN; PROTEIN; SCAFFOLD PROTEIN; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL REACTION; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME BINDING; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; POINT MUTATION; PRIORITY JOURNAL; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CATALYSIS; CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; POINT MUTATION; PROTEIN ENGINEERING; PROTONS; SOFTWARE;

EID: 84863230018     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1118082108     Document Type: Article

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