MKTOP: A program for automatic construction of molecular topologies

Journal of the Brazilian Chemical Society

Volumn 19, Issue 7, 2008, Pages 1433-1435

  Ribeiro, André A S T ^a   Horta, Bruno A C ^a   De Alencastro, Ricardo B ^a  

^a Physical Organic Chemistry Group   (Brazil)

Author keywords

Atom type recognition; GROMACS; Molecular mechanics; Molecular topology; OPLS

Indexed keywords

EID: 51849125527     PISSN: 01035053     EISSN: 16784790     Source Type: Journal    
DOI: 10.1590/S0103-50532008000700031     Document Type: Article

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