Mapping Enzymatic Catalysis Using the Effective Fragment Molecular Orbital Method: Towards all ab initio Biochemistry

Open Access

Peer-reviewed

Research Article

Casper Steinmann,

Affiliation Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
⨯
Dmitri G. Fedorov,

Affiliation Nanosystems Research Institute (NRI), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki, Japan
⨯
Jan H. Jensen

* E-mail: jhjensen@chem.ku.dk

Affiliation Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
⨯

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Transition state
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Enzymes
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Molecular orbitals
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