The Effective Fragment Molecular Orbital Method for Fragments Connected by Covalent Bonds

Open Access

Peer-reviewed

Research Article

Casper Steinmann ,

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

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

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

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

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Polypeptides
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Dimers
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Covalent bonding
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Monomers
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Protein structure comparison
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Protein structure
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Ab initio quantum chemistry methods
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Molecular orbitals
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