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Designing Bioactive Molecules
Yvonne Connolly MartinPeter Willett
其他書名
Three-dimensional Techniques and Applications
出版American Chemical Society, 1998
主題Business & Economics / Industries / Pharmaceutical & BiotechnologyMedical / BiochemistryMedical / PharmacologyMedical / Psychiatry / PsychopharmacologyScience / Life Sciences / BiochemistryScience / BiotechnologyScience / Chemistry / GeneralScience / Chemistry / AnalyticScience / Chemistry / Industrial & TechnicalScience / Life Sciences / Molecular BiologyTechnology & Engineering / Chemical & Biochemical
ISBN08412349069780841234901
URLhttp://books.google.com.hk/books?id=hc7wAAAAMAAJ&hl=&source=gbs_api
註釋Three-dimensional structural information often provides the key to dis covering or designing bioactive molecules and compounds. This volume c overs the principal computational techniques for processing three-dime nsional structures of small molecules and compounds. It describes data base construction and searching, analysis of structure-activity relati onships by pharmacophore mapping and QSAR, prediction of biological po tency of small molecules and compounds by QSAR and by docking to macro molecular targets. The book also includes a chapter on de novo design of ligands to fit a macromolecular target.