000			04131cam a2200433 a 4500
005			20250918145702.0
008			111202s2010 enka b 001 0 eng
020			_a9780521887236 (hardback) _cRM428.27
020			_a0521887232 (hardback)
039		9	_a201505081158 _bsue _c201505081156 _dsue _c201503311149 _dwafi _c201201030959 _druzini _y12-02-2011 _zrazalis
040			_aUKM _erda
090			_aQV744.D794 2010 9
090			_aQV744 _b.D794 2010 9HUKMPRA
090			_aQV744 _b.D794 2010 9
245	0	0	_aDrug design : _bstructure- and ligand-based approaches / _cedited by Kenneth M. Merz, Dagmar Ringe, Charles H. Reynolds
264		1	_aCambridge [U.K.] ; _aNew York : _bCambridge University Press, _c2010.
264		4	_c©2010.
300			_ax, 274 pages : _billustrations (some col.) ; _c29 cm.
336			_atext _2rdacontent
337			_aunmediated _2rdamedia
338			_avolume _2rdacarrier
504			_aIncludes bibliographical references and index.
505	8		_aMachine generated contents note: 1. Computational chemistry in drug discovery William L. Jorgensen; Part I. Structural Biology: 2. X-Ray crystallography Gregory Petsko and Dagmar Ringe; 3. Fragment-based approaches to structural biology Stephen K. Burley, Gavin Hirst, Paul Sprengeler, and Siegfried Reich; 4. Application of NMR in drug discovery Christopher A. Lepre, Peter J. Connolly, and Jonathan M. Moore; Part II. Computational Chemistry Methodology: 5. Free energy calculations in structure-based drug design Michael R. Shirts, David L. Mobley, and Scott P. Brown; 6. Molecular dynamics in structure-based drug design Fangyu Ding and Carlos Simmerling; 7. Docking: a domesday report Martha S. Head; 8. Quantum mechanics in drug discovery Kenneth M. Merz; 9. Pharmacophore methods Steven L. Dixon; 10. QSAR in drug discovery Alexander Tropsha; 11. ADME-Tox William J. Egan; Part III. Applications to Drug Discovery: 12. Principles of computer-aided drug design Charles H. Reynolds; 13. Case study: p38 Arthur M. Doweyko; 14. HIV protease: de;j...-vu all over again M. Katharine Holloway, Nigel J. Liverton, John A. McCauley, Michael T. Rudd, John W. Butcher, Steve S. Carroll, Jillian DiMuzio, Christine Fandozzi, Kevin F. Gilbert, Shi-Shan Mao, Charles J. MacIntyre, Kevin T. Nguyen, Joseph J. Romano, Mark Stahlhut, Bang-Lin Wan, David B. Olsen, and Joseph P. Vacca; 15. Purine nucleoside phosphorylases as targets for transition-state analogue design Andrew S. Murkin and Vern L. Schramm; 16. GPCR 3D modeling Frank U. Axe; 17. Structure based design of potent glycogen phosphorylase inhibitors Qiaolin Deng
520			_a'Structure-based (SBDD) and ligand-based (LBDD) drug design are extremely important and active areas of research in both the academic and commercial realms. This book provides a complete snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include X-ray crystallography, NMR, fragment-based drug design, free energy methods, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore methods, computational ADME-Tox, and drug discovery case studies. A variety of authors from academic and commercial institutions all over the world have contributed to this book, which is illustrated with more than 200 images. This is the only book to cover the subject of structure and ligand-based drug design, and it provides the most up-to-date information on a wide range of topics for the practicing computational chemist, medicinal chemist, or structural biologist'--Provided by publisher
650		2	_aDrug Design.
650		2	_aLigands.
650		2	_aStructure-Activity Relationship.
700	1		_aMerz, Kenneth M., _d1959- _eauthor.
700	1		_aRinge, Dagmar _eauthor.
700	1		_aReynolds, Charles H., _d1957- _eauthor.
907			_a.b15205162 _b2021-05-28 _c2019-11-12
942			_c01 _n0 _kQV744.D794 2010 9
914			_avtls003483871
990			_amwafi/sue
991			_aFakulti Farmasi, KKL
991			_aJabatan Biokimia, Pra Klinikal PPUKM
998			_ad _ap _b2011-02-12 _cm _da _feng _genk _y0 _z.b15205162
999			_c504710 _d504710