3D structure based atomic charge calculation for molecular mechanics and molecular dynamics simulations

Chem-Bio Informatics Journal

Volumn 1, Issue 1, 2001, Pages 35-40

  Nakano, Tatsuya ^a   Kaminuma, Tsuguchika ^a   Uebayasi, Masami ^b   Nakata, Yoshiro ^c  

^a NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^b NATL INST BIOSCI HUM TECHNOL   (Japan)

^c GUNMA UNIVERSITY   (Japan)

Author keywords

3D structure; Atomic Charge; Charge Equilibration method; Dipole Moment; Molecular Dynamics; Molecular Mechanics

Indexed keywords

EID: 0042465829     PISSN: 13476297     EISSN: 13470442     Source Type: Journal    
DOI: 10.1273/cbij.1.35     Document Type: Article

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