Structure-based integrative computational and experimental approach for the optimization of drug design

Lecture Notes in Computer Science

Volumn 3515, Issue II, 2005, Pages 680-688

  Morikis, Dimitrios ^a   Floudas, Christodoulos A ^b   Lambris, John D ^c  

^a University of California Riverside   (United States)

^b Princeton University   (United States)

^c UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; GLOBAL OPTIMIZATION; MASS SPECTROMETRY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEINS; INTEGER PROGRAMMING; LINEAR PROGRAMMING; PEPTIDES; SIMULATED ANNEALING;

DYNAMIC SIMULATIONS; LIGANDS; LINEAR OPTIMIZATION; PEPTIDES; ACTIVITY MEASUREMENTS; DETERMINISTIC GLOBAL OPTIMIZATION; EXPERIMENTAL APPROACHES; GLOBAL OPTIMIZATION METHOD; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL INFORMATION; STRUCTURE DETERMINATION;

DRUG PRODUCTS; SHAPE OPTIMIZATION;

EID: 25144452386     PISSN: 03029743     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1007/11428848_88     Document Type: Conference Paper

References (17)

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16. Mallik, B., Lambris, J.D., Morikis, D.: Conformational inter-conversion of compstatin probed with molecular dynamics simulations. Proteins 53 (2003) 130-141
17. Mallik, B. and Morikis D.: Submitted (2005)