Development of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent media

Journal of Molecular Structure: THEOCHEM

Volumn 944, Issue 1-3, 2010, Pages 116-123

  Sanjeewa, Rangana ^a   Weerasinghe, Samantha ^a  

^a UNIVERSITY OF COLOMBO   (Sri Lanka)

Author keywords

Aggregation; Aqueous urea; Caffeine; Chemical denaturants; Force field; Molecular dynamics

Indexed keywords

EID: 76749145464     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.12.027     Document Type: Article

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