TOOLBOX         updated JULY 18 2017
ADME admetSARDrugLikenessFAF-DrugsMetaPredMetaPrint2DPK coursepkCSMSMARTcypSwissADMETransformerVLS3DWhichCYPXenoSiteXmetDB
AFFINITY AffinDBBindingDBMOADPDbind
BLOGS ChEMBLogIn the PipelineMacInChemBlogPractical FragmentsWater in Biology
BOOKS AbeBooksAmazonBook collectingBookFinderBookpoi (rare books)Elliot BayFirst Ed. PointsISBNdbUW
CHEMISTRY AcidityChemSynth DBCRC HandbookHistoryIUPAC GoldBookHeterocyclic Chem (Baran)IUPAC namesNotVoodooOrganic DataSpectra (JP)Webelements
COMPAR. MODEL. 3D-JIGSAWI-TASSERMODELLERPhyreSWISS-MODEL
COMPOUNDS 2P2I_DBAggregatorAdvisorBadAppleBCFIChemDBChemIDPlusChemNetBaseCSDDrugCentralDTPDrugBankDrugPortDrugInfoPortalEdulisseMoleculesiPP-DBMerck IndexH_MetabolomeiScreen (Trad. Chinese Meds)STITCHSuperMimic (peptidomimetics)TIMBALUW HTSZINC
COMPOUND CALC. ALOGPSAtlasCBSChemicalizeCOSMOS3DKCOMBUPaDELpHSolPRODRGRED (charges)SWISSsimilarity
COMPUTING C++CPU benchmarksHPCHistory of mathIntegrator (Wolfram)Max LikelihoodNIST softwareSAGESANSviWolfram Demos
CRYSTALLOGRAPHY CCP4CODContaminerCrystallizationon OSXeCrystallography courseGRADE restraintsMolProbityRuppWebSERpSpaceGroupsTwilightTwinning ServerXtalPred
DESIGN AUTOGROWNEWLEADOpenGrowthSAAMCO (peptide to small mol)SanjeeveniscPDBfragScaffoldHunterSwissIsostere
DOCKING AutoDockCSARDOCKDockovalenteSimDOCKFITTEDFlexXFrediDockMolaMolocPharmDockPLANTSrDOCKROSIESwissDock
DRUG DEVELOP. CDERClick2DrugDatawarriorDrugMintGlobalHealthDataHepC AdvHistoryPHAROSPROMISCUOUSSEASuperTargetTDRTargetsTiPsTTDTuberculistTB pipelineWormBase Parasite
ELECTROSTATICS APBS&PDB2PQRDelPhiMIBPBPROPKA (pKa calc)REDSMPBSWiki:pKaCalc
FRAGMENTS ACFISChemBridgeCMC:fragment collectionsEnamineFraggleIotaKeyOrganicsLifeChemicalsMayBridgemolBlocksOtavaSelciaTimTecVitas-MZenobia
GENES Atlas Genetics Onco HematCodon UsageDEG (Essential Genes)EupathDBGeneCardsGeneDBGeneticConditionsGeneTests
JOURNALS ACS Inf DisAng ChemBiochCellPress JCOSBJCCJCIMJMCJCTCJMBMBPNatureNat CommNat Rev DDNature SMBNARPNASProteinsProtein SciScience
KINASES Human KinomeKinaseProKinaseSarfariKinimo-LHMKKB (K Knowledge DB)KLIFSWikinome
LIPIDS LIPIDBANKLIPID LIBRARYLIPID MAPSPRENbase
ORGANIZATIONS ACSCOMPEMAUSPTOWashingtonLifeScience
PARASITES ASPASTMHGLOBAL FundLAMP (Apicompl metab)Malaria AtlasMalaria FoundationMalaria: metabolismMalaria SitePlasmodium lecturesTrypanosomes
PHARMACOPHORE AnchorQueryPharmer
POCKETS 3DLigandSiteAlphaSpceautositebsitefinderCASTpCavitatorCLIPPERSCryptoSiteDepthDoGSiteScorerFINDSITE-combfpocketFTmapGhecomHotPatchLISEMarkUSMEDOCKMetaPocketMolePASSPOCASAPockDrugPocket AnnotatePocketomePocketQueryPoSSumPoVme (Volume)Sc-PDBSiteHoundSplitPocketSuMoVoronoia
PROTEINS 3VeeAnchorASD (allosteric DB)Anat&taxonCHOPCONCOORDConSurfCUPSATDisulfideByDesignDrugEBIlityDsspiDynDomEFIEris (ΔΔG mut)ExPASyFoldXHingeProtI-MutantMACie (Enz Mech)MarkUSMEROPS (Peptidases)PDBhydroPEDANTPolyPhenProFuncSDM (ΔΔG mut)SMAPSSbondTheseus (superp.)
STRUCTURES BRENDACSDEC2PDBMEMBRANE PROTMIPS(Metals)OCAPDBPDBbindPDB_REDOPDBSUMRELIBASESUPERLIGANDS
TOXICOLOGY OpenToxOpenVirtualToxLab
TRIALS ClinTrialsICTRPOrphaNet
TRANSP|RECEPTORS GPCRdbGPCR NetworkIUPHAR GuideNuclear ReceptorsMetrabaseNURSATCDB
VARIOUS AcademicTreeBrownianMotorBioNumbersBioPhysicsCell size and scaleDOCK4.0FreePatentsOnlineiHOPLinux4ChemMerckManual_ProfEdMol ProbesOptical illusionsPatent LensPerlMolPeroxisomeDBProBisPSI_StrBiolReactomeSciFinderSGI SysmanSPRpagesSurface SoftwareVirulenceFactorsDBWaterWHATIF