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Journal of Computer-Aided Molecular Design

Volumn 14, Issue 7, 2000, Pages 611-629

Steroid binding by antibodies and artificial receptors: Exploration of theoretical methods to determine the origins of binding affinities and specificities

(5) Handschuh, S a Goldfuss, B b Chen, J b Gasteiger, J a Houk, K N b

a UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

b UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Antibody; Artificial receptors; Free energy calculations; Kohonen neural networks; Ligand receptor binding; Molecular similarity

Indexed keywords

BINDING ENERGY; FREE ENERGY; HYDROGEN BONDS; VAN DER WAALS FORCES;

ARTIFICIAL RECEPTORS; BINDING AFFINITIES; BINDING MODES; BINDING SPECIFICITIES; FREE-ENERGY CALCULATIONS; KOHONEN NEURAL NETWORKS; LIGAND-RECEPTOR BINDING; MOLECULAR SIMILARITY; STEROIDS BINDING; THEORETICAL METHODS;

ANTIBODIES;

CHOLIC ACID; CORTISONE; DEOXYCHOLIC ACID; DIGITOXIN; DIGOXIGENIN; DIGOXIN; DIGOXIN ANTIBODY; DIGOXIN ANTIBODY F(AB) FRAGMENT; DRUG ANTIBODY; LITHOCHOLIC ACID; OUABAIN; PARACYCLOPHANE DERIVATIVE; PROGESTERONE; STEROID RECEPTOR; TESTOSTERONE; URSODEOXYCHOLIC ACID;

ANTIGEN BINDING; ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER ANALYSIS; DRUG CONFORMATION; DRUG RECEPTOR BINDING; ELECTRICITY; ENCAPSULATION; HYDROGEN BOND; HYDROPHOBICITY; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; RECEPTOR AFFINITY; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 0033824764 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1008188322239 Document Type: Article

Times cited : (6)

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