MARC Record from marc_columbia

LEADER: 05223cam a2200877Ia 4500
001 11035589
005 20220618224257.0
006 m o d
007 cr cn|||||||||
008 120123s2012 enka ob 001 0 eng d
035 $a(OCoLC)ocn773586492
035 $a(NNC)11035589
040 $aUKRSC$beng$epn$cUKRSC$dHEBIS$dCOO$dMYG$dKNOVL$dOHS$dOCLCQ$dDEBSZ$dYDXCP$dN$T$dKNOVL$dOCLCF$dKNOVL$dNLGGC$dNJR$dZCU$dKNOVL$dMHW$dOCLCQ$dOCLCO$dNLE$dOCLCO$dOCLCA$dOCLCO$dOCLCQ$dAGLDB$dOCLCO$dOCLCO$dOCLCQ$dOCLCO$dOCLCQ$dLIP$dVGM$dOCLCO$dMERER$dOCLCO$dOCLCQ$dOCLCO$dOCLCQ$dBUF$dOCLCO$dOCLCQ$dVTS$dRRP$dOCLCQ$dAU@$dOCLCO$dUKMGB$dOCLCO$dOCLCQ$dSTF$dLEAUB$dOCLCO$dOL$$dOCLCO$dOCLCQ$dOCLCO$dERF$dOCLCA$dOCLCQ$dOCLCO
015 $aGBB6G5046$2bnb
016 7 $a018019917$2Uk
019 $a843641093$a960038820
020 $a9781849733403$q(electronic bk. ;$qRSC)
020 $a1849733406$q(electronic bk. ;$qRSC)
020 $a9781621981398$q(electronic bk.)
020 $a1621981398$q(electronic bk.)
020 $z9781849731676$q(print)
020 $z1849731675$q(print)
024 8 $a99953065800
035 $a(OCoLC)773586492$z(OCoLC)843641093$z(OCoLC)960038820
037 $aT3510$bRoyal Society of Chemistry$nhttp://www.rsc.org/spr
050 4 $aRS420$b.D78 2012eb
060 4 $aQV 744
072 7 $aMED$x023000$2bisacsh
072 7 $aMED$x058170$2bisacsh
072 7 $aMED$x071000$2bisacsh
072 7 $aMED$x072000$2bisacsh
082 04 $a615.1900113$223
049 $aZCUA
245 00 $aDrug design strategies :$bcomputational techniques and applications /$ceditors, Lee Banting and Tim Clark.
260 $aCambridge, U.K. :$bRoyal Society of Chemistry,$c2012.
300 $a1 online resource (x, 239 pages) :$billustrations
336 $atext$btxt$2rdacontent
337 $acomputer$bc$2rdamedia
338 $aonline resource$bcr$2rdacarrier
490 1 $aRSC Drug Discovery Series ;$v20
504 $aIncludes bibliographical references and index.
520 $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 biomolecular systems. The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry.
588 0 $aPrint version record.
505 0 $aIntroduction; Quantum Mechanical/Molecular Mechanical Approaches in Drug Design; Transition Metal Systems; Modeling Protein-Protein Interactions by Rigid-body Docking; QM Based Modelling; Semi-empirical Methods: Current Status and Future Directions; Quantum Chemical Topology: on Descriptors, Potentials and Fragments; Cheminformatics in Diverse Dimensions; Analysing Molecular Surface Properties; Atomistic Modelling of Drug Delivery Systems; Index.
650 0 $aDrugs$xDesign$xComputer simulation.
650 0 $aDrugs$xDesign.
650 0 $aComputer simulation.
650 0 $aDigital computer simulation.
650 0 $aChemical models.
650 0 $aQSAR (Biochemistry)
650 12 $aDrug Design
650 2 $aComputer Simulation
650 22 $aModels, Chemical
650 22 $aModels, Molecular
650 22 $aMolecular Dynamics Simulation
650 22 $aChemical Phenomena
650 22 $aQuantitative Structure-Activity Relationship
650 6 $aMédicaments$xConception$xSimulation par ordinateur.
650 6 $aMédicaments$xConception.
650 6 $aSimulation par ordinateur.
650 6 $aModèles chimiques.
650 6 $aRelations structure-activité quantitatives (Biochimie)
650 7 $asimulation.$2aat
650 7 $aPharmacology.$2bicssc
650 7 $aMEDICAL$xDrug Guides.$2bisacsh
650 7 $aMEDICAL$xNursing$xPharmacology.$2bisacsh
650 7 $aMEDICAL$xPharmacology.$2bisacsh
650 7 $aMEDICAL$xPharmacy.$2bisacsh
650 7 $aDrugs$xDesign$xComputer simulation.$2fast$0(OCoLC)fst00898791
655 4 $aElectronic books.
700 1 $aBanting, Lee.
700 1 $aClark, Tim,$d1949-
776 08 $iPrint version:$tDrug design strategies.$dCambridge : Royal Society of Chemistry, 2012$z9781849731676$w(OCoLC)759585091
830 0 $aRSC drug discovery series ;$v20.
856 40 $uhttp://www.columbia.edu/cgi-bin/cul/resolve?clio11035589$zACADEMIC - Pharmaceuticals, Cosmetics & Toiletries
852 8 $blweb$hEBOOKS