Molecular dynamics simulation with atomic partial charges update of erythtrol in water

Journal of Molecular Structure: THEOCHEM

Volumn 431, Issue 1-2, 1998, Pages 7-15

  Maranon J ^a   Grigera, J R ^b  

^a UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

^b Instituto de Fisica de Liquidos y Sistemas Biologicos   (Argentina)

Author keywords

Carbohydrate simulation; Molecular charge update; Molecular conformation; Molecular dynamcis simulation

Indexed keywords

EID: 0040270187     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(97)00199-1     Document Type: Article

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