Transcription of DRUG DESIGN: STRUCTURE- AND LIGAND-BASED …
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DRUG DESIGN: STRUCTURE- AND LIGAND-BASED …
drug design : structure - AND LIGAND-BASED APPROACHESS tructure-based drug design (SBDD) and LIGAND-BASED drug design (LBDD) are active areasof research in both the academic and commercial realms. This book provides a current snap-shot of the field of computer-aided drug design and associated experimental covered include x-ray crystallography, nuclear magnetic resonance, fragment-baseddrug design , free-energy methods, docking and scoring, linear-scaling quantum calcula-tions, quantitative structure /activity relationship, pharmacophore methods, computationalabsorption/distribution/met abolism/excretion-toxicity, and drug discovery case from academic and commercial institutions all over the world have contributed tothis book, which is illustrated with more than 200 images.
5 Free-energy calculations in structure-based drug design 61 Michael R.Shirts,DavidL.Mobley,and Scott P.Brown 6 Studies of drug resistance and the dynamic behavior of HIV-1 protease through molecular dynamics simulations 87 Fangyu Ding andCarlos Simmerling 7 Docking: a domesday report 98 Martha S. Head
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