QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines

Journal of Physics Condensed Matter

Volumn 21, Issue 6, 2009, Pages

  Hagiwara, Yohsuke ^a   Ohta, Takehiro ^a,b   Tateno, Masaru ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL MACROMOLECULES; BIOLOGICAL PROCESS; CUT OFFS; DENSITY-FUNCTIONAL THEORIES; ELECTROSTATIC INTERACTIONS; FUNCTIONAL SITES; HARTREE-FOCK; INTERFACE PROGRAMS; PARTIAL CHARGES; PROTEIN-DNA COMPLEXES; QUANTUM MECHANICS; TEST SYSTEMS;

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTROSTATICS; HAMILTONIANS; MACROMOLECULES; METHOD OF MOMENTS; NUCLEIC ACIDS; QUANTUM THEORY; SUPRAMOLECULAR CHEMISTRY;

MOLECULAR MECHANICS;

EID: 63749085998     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/6/064234     Document Type: Article

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