Toward the computer-aided design of metal ion sequestering agents

Journal of Alloys and Compounds

Volumn 374, Issue 1-2, 2004, Pages 416-419

  Hay, Benjamin P ^a   Firman, Timothy K ^a   Lumetta, Gregg J ^a   Rapko, Brian M ^a   Garza, Priscilla A ^a   Sinkov, Sergei I ^a   Hutchison, James E ^b   Parks, Bevin W ^b   Gilbertson, Robert D ^b   Weakley, Timothy J R ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF OREGON   (United States)

Author keywords

Chelate; Computer aided design; Ligand; Metal ion; Molecular modeling

Indexed keywords

ALGORITHMS; BINDING ENERGY; CHELATION; COMPUTER PROGRAMMING; COMPUTER SOFTWARE; DRUG PRODUCTS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PERSONAL COMPUTERS;

LIGANDS; METAL IONS; MOLECULAR MODELING;

COMPUTER AIDED DESIGN;

EID: 2942568608     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2003.11.049     Document Type: Conference Paper

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