000 | 02208cam a22002895a 4500 | ||
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_c26919 _d26891 |
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001 | 017472678 | ||
003 | Uk | ||
005 | 20181031123521.0 | ||
008 | 150717s2016 enka frb 001 0 eng d | ||
015 |
_aGBB5A6276 _2bnb |
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020 | _z9780081000984 (hbk.) | ||
040 |
_aStDuBDS _beng _cStDuBDS _dUk _dEG-ScBUE |
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082 | 0 | 4 |
_a615.19 _bHON _222 |
100 | 1 |
_aHongmao, Sun. _941857 |
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245 | 1 | 2 |
_aA practical guide to rational drug design / _cSun Hongmao. |
260 |
_aCambridge ; _aWaltham, MA : _bWoodhead Publishing / Elsevier, _cc.2016. |
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300 |
_a275 p. : _bill. (col.) ; _c24 cm. |
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490 | 0 |
_aWoodhead Publishing series in biomedicine ; _vno. 81 |
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505 | 0 |
_tPART I Rational Drug Design 1. Structure of the target is available 2. Structure of the target is unavailable 3. Virtual screening (VS) _tPART II Chemoinformatics 1. QSAR modeling 2. Processing HTS results 3. Delivering modeling results |
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520 | _aThis book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors' active compounds or from natural ligands of the targets; how to springboard from competitors' SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes. | ||
650 | 7 |
_aDrugs _xDesign. _2BUEsh _930136 |
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651 | _2BUEsh | ||
653 |
_bPPhrm _bGGEN _cOctober2018 |
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655 | _vReading book | ||
776 | 0 | 8 |
_iPrint version: _z9780081000984 |
942 | _2ddc |