Quantum mechanical/molecular mechanical (QM/MM) docking: An evaluation for known test systems

Molecular Physics

Volumn 101, Issue 15, 2003, Pages 2469-2480

  Beierlein, F ^a   Lanig, H ^a   SchURer G ^a   Horn, A H C ^a   Clark, T ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPLEXATION; COMPUTER SIMULATION; CRYSTALLOGRAPHY; ELECTRONIC PROPERTIES; ENZYMES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; OPTIMIZATION; PROTEINS; QUANTUM THEORY;

MOLECULAR MECHANICAL DOCKING; PROTEIN INHIBITOR COMPLEXES;

MOLECULAR PHYSICS;

EID: 1542377504     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000092940     Document Type: Article

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