000			00643nam a2200181Ia 4500
999			_c2514 _d2514
005			20181103164858.0
008			180803s9999 xx 000 0 und d
020			_a0-8247-4774-7
040			_aAIKTC-KRRC _cAIKTC-KRRC
041			_aENG
082			_a615.19 _bBUL _2DDC23
100			_aBultinck, Patric _93846
245		0	_aComputatoinal medicinal chemistry for drug discovery
250			_a1st
260			_aNA _bCRC Press _c2009
300			_a794, 24.8*18.2 Pages _bPaperback
520			_aObserving computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.
856			_uhttps://ndl.iitkgp.ac.in/result?q={%22t%22:%22search%22,%22k%22:%22pharmaceutical%20chemistry%22,%22s%22:[%22DDC=\%22600%3A%3ATechnology\%22%22],%22b%22:{%22filters%22:[]}}
942			_cBK _2ddc
650			_aPHARMACEUTICAL CHEMISTRY _95008