TOOLBOX         updated APRIL 2  2018
ADME admetSARDrugLikenessFAF-DrugsMetaPredMetaPrint2DPK coursepkCSMSMARTcypSwissADMETransformerVLS3DXenoSiteXmetDB
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-DBLigDigMerck IndexH_MetabolomeiScreen (Trad. Chinese Meds)STITCHSuperMimic (peptidomimetics)TIMBALUW HTSZINC
COMPOUND CALC. ALOGPSAtlasCBSChemicalizeCOSMOS3DKCOMBUmayachemtoolsPaDELpHSolPRODRGRED (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 @TOMEAutoDockCSARDOCKDockovalenteSimDOCKFITTEDFlexXFrediDockMolaMolocPharmDockPLANTSrDOCKROSIESwissDock
DRUG DEVELOP. CDERClick2DrugDatawarriorDrugMintGlobalHealthDataHepC AdvHistoryPHAROSPROMISCUOUSSEASuperTargetTDRTargetsTiPsTTDTuberculistTB pipelineWormBase Parasite
ELECTROSTATICS APBS&PDB2PQRDelPhiMIBPBPROPKA (pKa calc)REDSMPBSWiki:pKaCalc
FRAGMENTS ACFISChemBridgeCMC:fragment collectionsemolfragEnamineFraggleIotaKeyOrganicsLifeChemicalsMayBridgemolBlocksOtavaSelciaTimTecVitas-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 AnchorQueryPharmerZINCPharmer
POCKETS 3DLigandSiteAlphaSpceautositebsitefinderCASTpCavitatorCLIPPERSCryptoSiteDepthDoGSiteScorerfpocketFTmapGhecomLISEMarkUSMEDOCKMetaPocketMolePASSPOCASAPockDrugPocket AnnotatePocketomePocketQueryPoSSumPoVme (Volume)Sc-PDBSiteHoundSplitPocketSuMoVoronoia
PROTEINS 3VeeAnchorASTEX PLI scoringASD (allosteric)Anat&taxonCHOPCONCOORDConSurfCUPSATDiffAccDisulfideByDesignDrugEBIlityDsspiDynDomEFIEris (ΔΔG mut)ExPASyFoldXHingeProtI-MutantMACie (Enz Mech)MarkUSMEROPS (Peptidases)PDBhydroPEDANTPGD (PGeom)PolyPhenProbis-H2OProteins-PlusSDM (ΔΔG mut)SMAPSSbondSTRAPTheseus (superp)WaterDock
STRUCTURES BRENDACSDEC2PDBMEMBRANE PROTMIPS(Metals)OCAPDBPDBbindPDB_REDOPDBSUMRELIBASESUPERLIGANDS
TOXICOLOGY OpenToxOpenVirtualToxLab
TRIALS ClinTrialsICTRPOrphaNet
TRANSP|RECEPTORS GPCRdbGPCR NetworkIUPHAR GuideNuclear ReceptorsMetrabaseNURSATCDB
VARIOUS AcademicTreeBrownianMotorBioNumbersBioPhysicsCell size and scaleDOCK4.0FreePatentsOnlineiHOPLinux4ChemMerckManual_ProfEdMol ProbesOptical illusionsOpenMoleculesPatent LensPerlMolPeroxisomeDBProBisPSI_StrBiolReactomeSciFinderSGI SysmanSPRpagesSurface SoftwareVirulenceFactorsDBWaterWHATIF