MARC Record from marc_columbia

LEADER: 09868cam a2201477Ia 4500
001 11684794
005 20220528224303.0
006 m o d
007 cr cn|||||||||
008 100623s2006 enka ob 101 0 eng d
035 $a(OCoLC)ocn643053650
035 $a(NNC)11684794
040 $aKNOVL$beng$epn$cKNOVL$dCEF$dOCLCQ$dOKU$dUKRSC$dU5D$dN$T$dKNOVL$dNOC$dKNOVL$dNLGGC$dOCLCO$dKNOVL$dYDXCP$dDEBSZ$dOCLCO$dOCLCQ$dOCLCO$dZCU$dOCLCQ$dOCLCO$dOCLCQ$dOCLCF$dOCLCO$dAGLDB$dTOA$dBUF$dMERER$dOCL$dOCLCQ$dVNS$dOCLCO$dOCLCQ$dVTS$dRRP$dOCLCQ$dOCLCO$dNLE$dOCLCO$dAU@$dOCLCO$dUKMGB$dOCLCO$dWYU$dOCLCQ$dREC$dOCLCQ$dSTF$dOCLCO$dLEAUB$dOCLCQ$dOCLCO$dM8D$dOCLCO$dOCLCQ$dOCLCO$dOCL$dERF$dOCLCQ$dOCLCA$dZHM$dOCLCA$dAUD$dMM9$dLUN$dOCLCQ$dOCLCO$dINARC$dUIU$dOCLCO
015 $aGBA686912$2bnb
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019 $a228437297$a1027367989$a1058065263$a1065702163$a1086505371$a1110927724$a1157027980$a1170058497$a1173430628$a1288492179
020 $a9781615833665$q(electronic bk.)
020 $a1615833668$q(electronic bk.)
020 $a9781847555373$q(electronic bk.)
020 $a1847555373$q(electronic bk.)
020 $z0854046682$q(hbk.)
020 $z9780854046683
020 $a0854046682
020 $a9780854046683
024 3 $a9780854046683
035 $a(OCoLC)643053650$z(OCoLC)228437297$z(OCoLC)1027367989$z(OCoLC)1058065263$z(OCoLC)1065702163$z(OCoLC)1086505371$z(OCoLC)1110927724$z(OCoLC)1157027980$z(OCoLC)1170058497$z(OCoLC)1173430628$z(OCoLC)1288492179
037 $bKnovel Corporation$nhttp://www.knovel.com
050 4 $aQD450$b.W67 2005eb
060 4 $a2008 I-625
060 4 $aQD 461$bW297 2005
070 $aQD450$b.W67 2005
072 7 $aSCI$x013070$2bisacsh
072 7 $aPN$2bicssc
072 7 $aSCI$2eflch
082 04 $a541.22$222
049 $aZCUA
111 2 $aWorld Congress of Theoretically Oriented Chemists$n(7th :$d2005 :$cCape Town, South Africa)
245 10 $aModelling molecular structure and reactivity in biological systems /$cedited by Kevin J. Naidoo [and others].
260 $aCambridge :$bRoyal Society of Chemistry,$c©2006.
300 $a1 online resource (ix, 293 pages) :$billustrations (some color)
336 $atext$btxt$2rdacontent
337 $acomputer$bc$2rdamedia
338 $aonline resource$bcr$2rdacarrier
490 1 $aSpecial publication ;$vno. 304
504 $aIncludes bibliographical references and index.
588 0 $aPrint version record.
520 $aThis product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.$bComputational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.
505 0 $aPart One: Molecular Conformation and Electronic Structure of Biomolecules; ELECTOWEAK QUANTUM CHEMISTRY AND THE DYNAMICS OF PARITY VIOLATION IN CHIRAL MOLECULES; CHARACTERIZATION OF PROTEIN FOLDING/UNFOLDING AT ATOMIC RESOLUTION; THE ROLE OF ATTRACTIVE FORCES ON THE DEWETTING OF LARGE HYDROPHOTIC SOLUTES; STRUCTURE AND MECHANISM OF THE ATPASE VCP/P97: COMPUTATIONAL CHALLENGES FOR STRUCTURE DETERMINATION AT LOW RESOLUTION; THEORETICAL ANALYSIS OF MECHANOCHEMICAL COUPLING IN THE BIOMOLECULAR MOTOR MYOSIN; MOLECULAR DYNAMICS AND NEUTRON DIFFRACTION STUDIES OF THE STRUCTURING OF WATER BY CARBOHYDRATES AND OTHER SOLUTES; Part Two: Chemical Reactivity in Biological Surroundings; FROM PRION PROTEIN TO ANTICANCER DRUGS: QM/MM CAR-PARRINELLO SIMULATIONS OF BIOLOGICAL SYSTEMS WITH TRANSITION METAL IONS; SIMULATIONS OF ENZYME REACTION MECHANISMS IN ACTIVE SITES: ACCOUNTING FOR AN ENVIRONMENT WHICH IS MUCH MORE THAN A SOLVENT PERTURBATION; THEORETICAL STUDIES OF PHOTODYNAMIC DRUGS AND
505 0 $aPHOTOTOXIC REACTIONS; ACID/BASE PROPERTIES OF RADICALS INVOLVED IN ENZYME-MEDIATED 1, 2-MIGRATION REACTIONS; DEVELOPMENT OF A HETEROGENEOUS DIELECTRIC GENERALIZED BORN MODEL FOR THE IMPLICIT MODELING OF MEMBRANE ENVIRONMENTS; ASSESSMENT AND TUNING OF A POISSON BOLTZMANN PROGRAM THAT UTILIZES THE SPECIALIZED COMPUTER CHIP MD-GRAPE-2 AND ANALYSIS OF THE EFFECT OF COUNTER IONS; INTRINSIC ISOTOPE EFFECTS- THE HOLY GRAAL OF STUDIES OF ENZYME-CATALYZED REACTIONS; SUICIDE INACTIVATION IN THE COENZYME B12-DEPENDENT ENZYME DIOL DEHYDRATASE; SIMULATIONS OF PHOSPORYL TRANSFER REACTONS USING MULTI-SCALE QUANTUM MODELS; SELECTIVITY AND AFFINITY OF MATRIX METALLOPROTEINASE INHIBITORS; INVESTIGATIONS OF CATALYTIC REACTION MECHANISMS OF BIOLOGICAL MACROMOLECULES BY USING FIRST PRINCIPLES AND COMBINED CLASSICAL MOLECULAR DYNAMICS METHODS; Part Three: Toward Drug Discovery; CHANGING PARADIGMS IN DRUG DISCOVERY; A TALE OF TWO STATES: REACTIVITY OF CYTOCROME P450 ENZYMES; THE ROLE AND LIMITATIONS OF
505 0 $aCOMPUTATIONAL CHEMISTRY IN DRUG DISCOVERY; IMPROVING CATALYTIC ANTIBODIES BY MEANS OF COMPUTATIONAL TECHNIQUES; THE "THEORETICAL" CHEMISTRY OF ALZHEIMER'S DISEASE: THE RADICAL MODEL; MECHANISTIC MODELING IN DRUG DISCOVERY: MMP-3 AND THE HERG CHANNEL AS EXAMPLES; Subject Index
546 $aEnglish.
650 0 $aChemistry, Physical and theoretical$vCongresses.
650 0 $aMolecular structure$vCongresses.
650 0 $aMolecular structure$xComputer simulation$vCongresses.
650 0 $aReactivity (Chemistry)$vCongresses.
650 0 $aReactivity (Chemistry)$xComputer simulation$vCongresses.
650 0 $aBiological systems$vCongresses.
650 0 $aBiology.
650 0 $aLife sciences.
650 0 $aPharmaceutical chemistry.
650 0 $aPhysical sciences.
650 0 $aPharmacology.
650 0 $aDrugs$xDesign.
650 0 $aMolecular structure.
650 0 $aChemistry.
650 2 $aChemical Phenomena
650 2 $aDrug Discovery
650 2 $aBiochemical Phenomena
650 2 $aBiology
650 2 $aInvestigative Techniques
650 2 $aPhenomena and Processes
650 2 $aBiological Science Disciplines
650 2 $aChemistry, Pharmaceutical
650 2 $aNatural Science Disciplines
650 2 $aAnalytical, Diagnostic and Therapeutic Techniques and Equipment
650 2 $aPharmacology
650 2 $aDisciplines and Occupations
650 2 $aComputational Biology
650 2 $aDrug Design
650 12 $aMolecular Structure
650 2 $aChemistry
650 6 $aChimie physique et théorique$vCongrès.
650 6 $aStructure moléculaire$vCongrès.
650 6 $aStructure moléculaire$xSimulation par ordinateur$vCongrès.
650 6 $aRéactivité (Chimie)$vCongrès.
650 6 $aRéactivité (Chimie)$xSimulation par ordinateur$vCongrès.
650 6 $aSystèmes biologiques$vCongrès.
650 6 $aBiologie.
650 6 $aSciences de la vie.
650 6 $aChimie pharmaceutique.
650 6 $aSciences physiques.
650 6 $aPharmacologie.
650 6 $aBio-informatique.
650 6 $aMédicaments$xConception.
650 6 $aStructure moléculaire.
650 6 $aChimie.
650 7 $abiology.$2aat
650 7 $abiological sciences.$2aat
650 7 $aphysical sciences.$2aat
650 7 $apharmacology.$2aat
650 7 $amolecular structure.$2aat
650 7 $achemistry.$2aat
650 7 $aChemistry.$2bicssc
650 7 $aSCIENCE$xChemistry$xComputational & Molecular Modeling.$2bisacsh
650 7 $aScience.$2eflch
650 7 $aMolecular structure$xComputer simulation.$2fast$0(OCoLC)fst01024850
650 7 $aBiological systems.$2fast$0(OCoLC)fst00832336
650 7 $aChemistry, Physical and theoretical.$2fast$0(OCoLC)fst00853521
650 7 $aMolecular structure.$2fast$0(OCoLC)fst01024846
650 7 $aReactivity (Chemistry)$2fast$0(OCoLC)fst01090522
653 1 $aWATOC
655 0 $aElectronic books.
655 2 $aCongress
655 4 $aElectronic books.
655 7 $aConference papers and proceedings.$2fast$0(OCoLC)fst01423772
655 7 $aConference papers and proceedings.$2lcgft
655 7 $aActes de congrès.$2rvmgf
700 1 $aNaidoo, Kevin J.
710 2 $aRoyal Society of Chemistry (Great Britain)
710 2 $aWorld Association of Theoretical and Computational Chemists.
776 08 $iPrint version:$aWorld Congress of Theoretically Oriented Chemists (7th : 2005 : Cape Town, South Africa).$tModelling molecular structure and reactivity in biological systems.$dCambridge : Royal Society of Chemistry, ©2006$z9780854046683$w(DLC) 2007360596$w(OCoLC)73952757
830 0 $aSpecial publication (Royal Society of Chemistry (Great Britain)) ;$vno. 304.
856 40 $uhttp://www.columbia.edu/cgi-bin/cul/resolve?clio11684794$zACADEMIC - Biochemistry, Biology & Biotechnology
852 8 $blweb$hEBOOKS