02533nam 2200637 a 450 991100656710332120200520144314.097816219813981621981398(CKB)2550000000078876(EBL)1185421(OCoLC)773586492(SSID)ssj0000667215(PQKBManifestationID)12238503(PQKBTitleCode)TC0000667215(PQKBWorkID)10674453(PQKB)10293303(MiAaPQ)EBC1185421(PPN)198476183(MiAaPQ)EBC7424624(Au-PeEL)EBL7424624(Perlego)787504(EXLCZ)99255000000007887620121211d2012 uy 0engur|n|---|||||txtccrDrug design strategies computational techniques and applications /edited by Lee Banting, Timothy Clark1st ed.Cambridge RSC Pub.20121 online resource (251 p.)RSC drug discovery series,2041-3203 ;20Description based upon print version of record.9781849733403 1849733406 9781849731676 1849731675 Includes bibliographical references and index.i-iv; v-vi; vii-x; 1-26; 27-55; 56-86; 87-106; 107-119; 120-163; 164-183; 184-209; 210-231; 232-240This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecuRSC Drug DiscoveryDrugsDesignComputer simulationDrugsDesignComputer simulation.615.19615.1900113Banting Lee1825420Clark Timothy210062MiAaPQMiAaPQMiAaPQBOOK9911006567103321Drug design strategies4393060UNINA