Design of linear ligands for selective separation using a genetic algorithm applied to molecular architecture

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1638-1660

  Santiso, Erik E ^a,b   Musolino, Nicholas ^a   Trout, Bernhardt L ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b North Carolina State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CELL PROLIFERATION; CHROMATOGRAPHY; GENETIC ALGORITHMS; ITERATIVE METHODS; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; PRODUCT DESIGN; REACTION KINETICS; REACTION PRODUCTS;

ADSORPTION ENERGIES; BATCH CHROMATOGRAPHY; ENTROPIC CONTRIBUTIONS; MOLECULAR ARCHITECTURE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR EVOLUTION; PHARMACEUTICAL SYNTHESIS; SELECTIVE SEPARATION;

LIGANDS;

LIGAND;

ADSORPTION; ALGORITHM; ARTICLE; CONFORMATION; DRUG DESIGN; MOLECULAR DYNAMICS; SURFACE PROPERTY; THERMODYNAMICS; UNCERTAINTY;

ADSORPTION; ALGORITHMS; DRUG DESIGN; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SURFACE PROPERTIES; THERMODYNAMICS; UNCERTAINTY;

EID: 84880532439     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400043q     Document Type: Article

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