Molecular dynamics simulations for the ranking, evaluation, and refinement of computationally designed proteins

Methods in Enzymology

Volumn 523, Issue , 2013, Pages 145-170

  Kiss, Gert ^a   Pande, Vijay S ^a   Houk, K N ^b  

^a STANFORD UNIVERSITY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Active site; De novo enzyme; Directed evolution; Inside out protocol; Protein engineering; Structural integrity; Theozyme; Water accessibility

Indexed keywords

ALKADIENE; AMINO ACID; CATALYTIC ANTIBODY; GLUTAMIC ACID; OXYGEN; PROTEIN;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CATALYSIS; COMPUTER MODEL; CRYSTAL STRUCTURE; DIELS ALDER REACTION; ELIMINATION REACTION; ENANTIOSELECTIVITY; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MUTATION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN ENGINEERING; PROTEIN STRUCTURE; QUANTUM MECHANICS; STEREOCHEMISTRY; THERMOSTABILITY;

EID: 84874023884     PISSN: 00766879     EISSN: 15577988     Source Type: Book Series    
DOI: 10.1016/B978-0-12-394292-0.00007-2     Document Type: Chapter

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