Evaluation of an inverse molecular design algorithm in a model binding site

Proteins: Structure, Function and Bioinformatics

Volumn 75, Issue 1, 2009, Pages 168-186

  Huggins, David J ^a,b   Altman, Michael D ^a,c   Tidor, Bruce ^a,b,d,e  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b Massachusetts Institute of Technology Cambridge   (United States)

^c MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^d USA   (United States)

^e NONE   (United States)

Author keywords

Cytochrome c peroxidase; Dead end elimination; Drug design; Inverse design; Protein ligand interaction; Scoring function

Indexed keywords

AMINE; ANILINIUM DERIVATIVE; CYTOCHROME C PEROXIDASE; MUTANT PROTEIN; PHENOL DERIVATIVE; PROTEIN W191G; UNCLASSIFIED DRUG; WATER;

ARTICLE; ELECTRICITY; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN INTERACTION; PROTEIN STRUCTURE; SOLVATION;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CYTOCHROME-C PEROXIDASE; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTANT PROTEINS; PROTEIN BINDING; SMALL MOLECULE LIBRARIES; WATER;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 65249084628     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22226     Document Type: Article

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