Information theoretical measures to analyze trajectories in rational molecular design

Journal of Computational Chemistry

Volumn 28, Issue 16, 2007, Pages 2576-2580

  Hamacher, K ^a  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

Author keywords

Computational chemistry; Data analysis; Molecular biophysics; Molecular dynamics; Pharmacology; Rational design

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR BIOPHYSICS; PHARMACOLOGY; RATIONAL DESIGN;

COMPUTATIONAL METHODS; COMPUTER SIMULATION; DATA REDUCTION; INTEGRATION; MOLECULAR DYNAMICS; NUMERICAL METHODS; PROTEINS;

INFORMATION THEORY;

BAX PROTEIN (53 86); BAX PROTEIN (53-86); ONCOPROTEIN; PEPTIDE FRAGMENT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; INFORMATION SCIENCE;

COMPUTER SIMULATION; DRUG DESIGN; INFORMATION THEORY; MODELS, MOLECULAR; PEPTIDE FRAGMENTS; PROTO-ONCOGENE PROTEINS;

EID: 35948976625     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20759     Document Type: Article

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