内容简介
Volume11ReviewsinComputationalChemistryKennyB.LipkowitzandDonaldB.BoydTheThemeofthisEleventhVolumeisComputer–AidedLigandDesignandModelingofBiomolecules.AStellarGroupofScientistsfromAroundtheWorldJoininthisVolumetoProvideTutorialsforBeginnersandExperts.Chapters1and2TakeADetailedLookatDeNovoDesignMethodologiesforDiscoveringNewLigandswhichMayBecomePharmaceuticals.Chapters3and4CovertheMethodsandApplicationsofThree–DimensionalQuantitativeStructure–ActivityRelationships(3D–QSAR)CurrentlyUsedinDrugDiscovery.WaystoComputetheCorrectLipophilic/HydrophilicBehaviorofMoleculesareTaughtinChapter5.Chapter6isanExpositionofRealisticallySimulatingDNAintheComplexMilieuofIonsthatSurroundit.AnAppendixtothisVolumeGivesACompendiumofSoftwareandInternetToolsforComputationalChemistry.–FromReviewsoftheSeries.ThisWell–RespectedSeriesContinuestheFineSelectionofTopicsandPresentationQualitiesSetForthbythePreviousMembers.ForExample,EachChapterContainsThoroughTreatmentoftheTheoryBehindtheTopicBeingCovered.Moreover,theBackgroundMaterialisFollowedbyAmpleTimelyExamplesCulledFromRecentLiterature.JournalofMedicinalChemistry