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100   $a20121211d2012      uy         0
101 0 $aeng
135   $aur|n|---|||||
181   $ctxt
182   $cc
183   $acr
200 00$aDrug design strategies $ecomputational techniques and applications /$fedited by Lee Banting, Timothy Clark
205   $a1st ed.
210   $aCambridge $cRSC Pub.$d2012
215   $a1 online resource (251 p.)
225  0$aRSC drug discovery series,$x2041-3203 ;$v20
300   $aDescription based upon print version of record.
311 08$a9781849733403 
311 08$a1849733406 
311 08$a9781849731676 
311 08$a1849731675 
320   $aIncludes bibliographical references and index.
327   $ai-iv; v-vi; vii-x; 1-26; 27-55; 56-86; 87-106; 107-119; 120-163; 164-183; 184-209; 210-231; 232-240
330   $aThis book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecu
410  0$aRSC Drug Discovery
606   $aDrugs$xDesign$xComputer simulation
615  0$aDrugs$xDesign$xComputer simulation.
676   $a615.19
676   $a615.1900113
701   $aBanting$b Lee$01825420
701   $aClark$b Timothy$0210062
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9911006567103321
996   $aDrug design strategies$94393060
997   $aUNINA