QCTFF: On the construction of a novel protein force field

International Journal of Quantum Chemistry

Volumn 115, Issue 16, 2015, Pages 1005-1011

  Popelier, Paul L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

force field design; Kriging; multipole moment; polarization; potential energy types; quantum chemical topology; quantum theory of atoms in molecules

Indexed keywords

ATOMS; INTERPOLATION; POLARIZATION; POTENTIAL ENERGY; PROTEINS; QUANTUM CHEMISTRY; QUANTUM THEORY; TOPOLOGY;

FORCE FIELDS; KRIGING; MULTIPOLE MOMENTS; QUANTUM CHEMICAL TOPOLOGY; QUANTUM THEORY OF ATOMS IN MOLECULES;

LEARNING SYSTEMS;

EID: 84936845907     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24900     Document Type: Review

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