Directory of computer-aided Drug Design tools

Updated on 7/18/2014. Currently 777 links.
This Tag Cloud representation was created based on the 209057 links that have been followed since 08 Sep 2010

SuperTarget Database   ChemJuice   APBS   FALC-Loop   SiteEngine   CDocker   ADMEAP   SAR Carcinogenicity Database   Tripos Mol2   SePreSA   Desmond   Spartan   BAPPL complexes set   Blaster   PubChem   EUDOC   TarFisDock   PharmMapper   DTome   Pymol   POLYVIEW-MM   Feature Trees   Chemsol   Jmol     ToxCreate   AquaSol   Frog2   PyMOL on the iPad.   iMolecular Draw   R.E.D. Server   ChemIDPlus   OSRA   Q-SiteFinder   ChemDoodle Mobile   MolSketch   SPRESImobile   FragmentStore   The ADME databases   Metabolizer Preview   XScore-LogP   3-D QSAR   Molecule Viewer 3D   MetaPrint2D   ChemSpider Mobile   Chemsol web service   ACD/Tox Suite   ISE-Dock   PharmMapper   SAR Genetox Database   CHARMM   pymacs   OMEGA   PDBs   VLife Engine   Screen Suite   MED-Ligand   istar   SCIGRESS   t3db   FRED   PDB Hydrogen Addition   KEGG DRUG   eDesign   LOMETS   phyre   JChem for Excel   MOE   CLICK   Leadscope   MetaSite   EPOSBP   ChIP   TouchMol Deskop Application   Dundee PRODRG2 Server   BKchem   NRDBSM   Bluto   PharmaGist   SiteHound-web   ParamChem   EADock   SeRAPhiC   FlexPepDock   E-novo   MS-Dock   iScreen   Molegro Virtual Docker   Cloe Predict   Muse   MEXAlert   ALOGPS   depict   Scaffold Hunter   Catalyst   SuperDrug Database   CASTp   PLATINUM   STITCH   DCE ChemPad   DOVIS   MolSign   Glide Fragment Library   Virtual LogP   RaptorX   Computer-Aided Drug-Design Platform using PyMOL   Key3D   ChemJuice Grande   ZINClick   iPharosDreams   Molekel   SplitPocket   AutoclickChem   SLITHER   ChemBank   DEPTH   MedChem Studio   hint!   MATCH server   ToxTree   MolPad   MATCH   3D-Jigsaw   Ketcher   OCHEM   BindingDB   Protein Preparation Wizard   OLN JSDraw   Superimposé   BSR   ChemMapper   VOIDOO   Leadscope Toxicity Database   MOLE db   Atomdroid   CHARMm   Chemspider   Surflex-Dock   SiMMap   GDD   istar   GFscore   CONFLEX   VirtualToxLab   RCSB PDB.   Target Hunter of Small Molecule   LigandFit   DLD   ShaEP   HADDOCK   pro-sp3-TASSER   Mol2Mol   DSXONLINE   TASSER-Lite   PDBSITE   CCDC/Astex Validation set   admetSAR   Shape-it   SPORES   1-Click Scaffold Hop   SWISS-MODEL   e-LEA3D   Molinfo   HyperChem   ProSide   Pose & Rank   Vcharge   ICM-PocketFinder   LISE   Protinfo ABCM   clogP   Surflex-Sim   MetaTASSER   PDB2PQR Server   Robetta   Glide Fragment Library   StructureMate   BetaDock   CABS-flex   ModLoop   iGEMDOCK   BioAdviser   LUDI   pKalc   TouchMol Web   Cloe Knowledge   BlueDesc   MolEdit   MED-SuMo   TouchMol Mobile App   ADAPT   FlexX, Flex-Ensemble (FlexE)   pep:MMs:MIMIC   FlexNovo   PropKa   DDDPlus   Mcule database   The ADME database   Chemkit   GEMDOCK   Bodil   PASSonline   BARISTA   VLifeBase   SketchEl   SCRWL   PASS   VEGA ZZ   Toxicity checker   SkelGen   Vcharge   ADMET Predictor   ChemDraw   ADDock   Dehydron   DockingServer   ACEMD (Accelerating bio-molecular simulations)   H++   ToxPredict   DG-AMMOS   sc-PDB-Frag   SuperCyp   eMolecules   Ligand Expo   idTarget   Indigo-depict   PrologP/PrologD   Imago   PocketPicker   MOIL   3DLigandSite   MedChem Designer   Swiss-PDB Viewer / DeepView   SMARTS format   chunk-TASSER   PharmBench   CREDO   Ligand Protein DataBase (LPDB)   OpenMolGRID   PocketAnnotate   CAVER   Visual Molecular Dynamics (VMD)   ADMET Modeler   SuperPred   JME Molecular Editor   QUASI   FAF-Drugs2   WWMM Web Services   PerlMol   LigPrep   ACToR   Flux   SELECT   wwwPDBinder   InChI   MacroModel   Qmol   eHiTS_LASSO   POVME   CONCERTS   QuteMol   VEGA WE   FlipDock   YASARA Structure   MetaDrug   Almond   Pdbfil   SuperToxic   XScore-LogP   Strip-it   PLANTS   IC50-to-Ki converter   CDK Descriptor Calculator GUI   DS Visualizer   1-Click Docking   LOMETS   ConCavity   ADAM   SwissSideChain   MetabolExpert   Open3DQSAR   ADRIANA.Code   COSMOS   hint!   FITTED   Spectrophores   MODEL - Molecular Descriptor Lab   STITCH   DrugMint   SimCYP   VinaMPI   MSPocket   PDSP   3D Molecule View   iMolview   SimDOCK   GPCRautomodel   PREPARE   ProModel   iMolecular Builder   GalaxyDock   ChemDiff   iKinase Universal   Glide   ACD/ADME Suite   PaDEL-Descriptor   DrugBank   X-score   BAPPL server   PHYSPROP   HaptenDB   eHITS_Score   Molegro Data Modeller   PDBe motifs and Sites   DEPTH   ADME DB   OPENMD   VDS   FINDSITE-LHM   iAPBS   Build model   ChemDoodle   NNScore   PocketPicker web server   SPROUT   VolSurf   admetSAR   CueMol   Glide Ligand Decoys Set   Amber   Molegro Virtual Docker   KBDOCK   Molecules   Filter-it   Jamberoo   ChemDraw for iPad   pymacs   ModPipe   MCSS   GASP   SwissTargetPrediction   WOMBAT   GeneSilico Metaserver   BREED   LCT   DockoMatic   PSiFR   CoLibri   DG-AMMOS   Legio   DART   Combinatorial library design   DrugLogit   IMPACT-F   AmberTools   Lead Finder   PreDDICTA   Ligand Expo   Rosetta Ligand   DITOP   QSAR with CoMFA   Indigo   ACPC   sc-PDB   PocketAnnotate database   INDDEx   Meteor   FINDSITE   CoG   CrystalDock   OncoLogic   Corina   BALLView   smirep   BDT   CLiBE   LEGEND   Lazar   Derek Nexus   iSpartan   NAMD   Chemical Identifier Resolver   GALAHAD   OpenStructure   PocketQuery   Vconf   SitesBase   fPOP   OpenAstexViewer   BALL   FOBIA   MovieMaker   Chirys Draw   ParaDockS   PubChem Mobile   Aggregator Advisor   AffinDB   smi23d   JOElib   ISIS/Draw   iview   Pattern Count Screen   MedChem Studio   PPS   SuperLooper   Phase   MolProbity   AMMP VE   Indigo-cano   Epik   MolAxis   Docking At UTMB   EA-Inventor   PepSite 2   3DLigandSite   BINANA   ADME-Tox   ScaffoldTreeGenerator   Approved Drugs   PDB_Hydro   Molinspiration bioactivity score   GeometryFit   Online SMILES Translator and Structure File Generator   SHAFTS   BUILDER   AURAmol   Jmol Molecular Visualization   ProBuilder   HMMSTR/Rosetta   Nucleos   MarvinSketch   McQSAR   GriDock   Indigo   PASS   WOMBAT-PK   POSIT   LigMerge   PROtein SURFace ExploreR   Pocketome   MOLA   I-TASSER   FINDSITE-LHM   jsMolEditor   GOLD   MUV   CACTVS   Property calculator   PyRosetta   isoCYP   SuperHapten   CDK (Chemistry Development Kit)   GIF/PNG-Creator   LISE   Pattern Match Counter   MayaChemTools   DRAR-CPI   OpenBabel   Biskit   LigASite   Computer-Aided Drug-Design Platform using PyMOL   Force Field Explorer   3D Molecules Edit&Drill   ClogP/CMR   Chirys Sketch   Autodock Vina plugin for PyMOL   LigBase   MEDock   Imago Console Application   Pocket-Finder   Avogadro   ChemSpider's InChI resolver   SuperLigands   ACD/PhysChem Suite   HOMODELLER   DUD.E   ModEval   PyRX   Mobile Molecular DataSheet   MPACK   SIDER   CAVER   ReverseScreen3D   PoseView   Adun molecular simulation   NDKmol   SWISS-MODEL Repository   SiteMap   Score   REDUCE   MolScore-Antibiotics   SwissBioisostere   fpocket web server   Modeller   CoCoCo   StarDrop   Daylight SMILES   EMIL   e-Drug3D   GHECOM web server   KeyRecep   Tinker   PDB format   Blaster   MolScore-Drugs   e-LEA3D   Molprime+   ChemDiff   ChemSpotlight   SMARTCyp   PROMISCUOUS   Bingo   GROMACS   eHiTS   MEGA   SMARTSviewer   CoLibri   SiteEngine   E-Dragon   MOLFEAT   ADMEWORKS Predictor   MolEngine   ChemT   Chemicalize   Tuplets   TOPAS (now DOGS)   Partial Least Squares Regression (PLSR)   MetaDock   TouchMol for Office   SEA   PocketDepth   PDBSiteScan   ASEDock   Codessa   NNScore   ChEMBL   RACHEL   OCHEM Database   VLifeDock   COPICAT   DockVision   Pardock   IntFOLD   HHpred   ACD/ChemSketch   Imago OCR Visual Tool   Marvin molecule editor and viewer   VADAR   Molcode Toolbox   MultiBind   Align-it   WinDock   Geno3D   TCM   PatchDock   OLN Chem4SharePoint   Chil2 Viewer   Biogenerator   PLT   The SDF Toolkit in Perl 5   CHARMM-GUI   Fconv   Desmond Absolute Solvation Free Energies Set   SAR Table   HomDock   ZincPharmer   QikProp   ADMEWORKS ModelBuilder   CATS   PDB View 3D   iHyperChem Free Version   KKB   ESyPred3D   Cn3D   RDKit   Active Site Prediction   CombiGlide   fpocket   SuMo   BAPPL-Z server   Chrawler   Superpose   wwLig-CSRre   New Human GPCR modeling and virtual screening database   REACTOR   FLAP   Chem3D for iPad   SwissDock   CLiDE   Kuntz Protein Test Set   ChemWriter   FLOG   eDesign   CAESA   eFindSite   ChemDB/ChemicalSearch   OSIRIS Property Explorer   SwissParam   COMPACT   ICM   Molinspiration WebME Molecule Editor   LIGSITEcsc   SMARTCyp Web Service   Zinc Database   SVILP_ligand   LCT   LigPrep   BioDrugScreen   VSDMIP   cQSAR   Binding Database   SiteComp   Epik   PDBinder   ProCESS   CSAR   PDBbind   MetaPrint2D-React.   cQSAR   SIDER   SCIGRESS   JChemPaint   TexMol   DoGSiteScorer   PoseView   q-TOX   Hyde   UM-BBD Pathway Prediction System   CHARMMing.org   ChemDB/Datasets   KeyRecep   Balloon   Elemental   GLL   Autodock Vina   Corina online demo   Protein Ligand Database (PLD)   Screen2   ICM-Browser   Fleksy   SPROUT-HitOpt   Aggregator Advisor   Binding MOAD (Mother Of All Database)   SCORPIO   Bioclipse   Indigo-depict   I-TASSER   CABS   BOMB   TIP database   HazardExpert Pro   SMART   ElectroShape Polypharmacology server   FINDSITE   COSMOS Viewer   Ascalaph   SMPDB   Atom 3D   ChEBI   HitPick   metaPocket   LAMMPS   BSP-SLIM   Chem4D   QSARPro   TOXNET   PROPKA   Structural Database (CSD)   CheVi   RasTop   NOC   UCSF Chimera   ModWeb   Cavitator   ChemMobi   Hologram QSAR (HQSAR)   PEP-FOLD   Ball&Stick   rDock   Abalone   LPCCSU   MORE   ORAC   Prime   ePMV   Corina   SMARTSeditor   ChemProt   KnowItAll - ADME | Tox Edition   HYBRID   DS Visualizer   FINDSITECOMB   OSIRIS Property Explorer   PACT-F   DNP   LigBuilder   SURFNET   GLmol   Ki Database   GLIDA   DAIM-SEED-FFLD   SimiCon   idock   ACD/DMSO Solubility   DataWarrior   Natural product likeness calculator   TorsionAnalyzer   ACD/Structure Design Suite   GlamDock   Topomer CoMFA   GastroPlus   RaptorX web server   IBIS   DecoyFinder   HMDB   Autodock   TTD   Discovery Studio TOPKAT Software   CODESSA Pro   iProtein   POCASA   ProBis   eFindSite   Open3DALIGN   LigandScout   PRO_LIGAND   Virtual library Repository   PharmaGist   Autogrow   MetaPred   MCASE   aMD   PASS   OSIRIS Property Explorer   Pharmer   MOE   GANDI   MMsINC   Accelrys Draw   Fuzzee   MolScore-Antivirals   Datasets from the Milano Chemometrics and QSAR Research Group   LIGSITEcsc web server   Discovery Studio ADMET Software   XDrawChem   FunFOLD   GPCRautomodel   NRLiSt   Friend   LeadGrow   ilib diverse   CNS (Crystallography & NMR System)   MedChem Studio   ToxiPred   Chemtool   ModBase   JKluster   Computer-Aided Drug-Design Platform using PyMOL   GFscore   E-Babel   e-LEA3D   smi23D web service   iScreen   Smi2Depict   Comparative Toxicogenomics Database (CTD)   CPHmodels   ReCore   RasMol   AnchorQuery   MOLARIS-XG   JChem for Excel   CASETOX   DOCK   kinDOCK   CueMol for iOS   PEPstr   FunFOLDQA   Pfinder   McVol   MedChem Studio   PK-Sim   GMA (Graph based Molecular Alignment)   SimCYP for iPhone.   Molconn-Z   Coot   PredictFX   LoFT   DNA Drug complex dataset   PreADME   GHECOM   MMTSB   SDF format   SPRESIweb   iBabel   PyRosetta   YASARA View   iHyperChem   PMP   fragmentizer   DockoMatic   SiteHound   VAMMPIRE   QUARK   LUNA   META   CMol   Hammerhead   PredictFX   Autodock Vina plugin for PyMOL   Allegrow   Crystal Studio   KOWWIN - EPI Suite   Free ADME Tools   HSITE   OSRA web service   DUD   Protein DataBank (PDB)   COSMOS   Indigo-deco   YASARA Dynamics   ChemDiff   MemBuilder   OpenSMILES   q-ADME