Directory of computer-aided Drug Design tools

Updated on 6/26/2017. Currently 826 links.
This Tag Cloud representation was created based on the 1199985 links that have been followed since 08 Sep 2010

PROPKA   ChemJuice   ParaDockS   VAMMPIRE-LORD   Corina   SIDER   HSITE   SURFNET   REACTOR   Superpose   iKinase Universal   Desmond   BREED   Pardock   AffinDB   PubChem Mobile   SwissSideChain   COPICAT   Bluto   Active Site Prediction   Ligand Expo   ProCESS   TCM   UCSF Chimera   INDDEx   QikProp   OSIRIS Property Explorer   JChem for Excel   ChemDraw for iPad   DTome   eHiTS_LASSO   OncoLogic   t3db   CACTVS   ISE-Dock   Screen2   HitPick   e-Drug3D   OpenSMILES   1-Click Docking   SMARTCyp Web Service   CABRAKAN   MSPocket   GIF/PNG-Creator   SwissParam   ConCavity   PocketPicker web server   ADMEWORKS ModelBuilder   Avogadro   E-novo   FINDSITE-LHM   Tuplets   MetabolExpert   smirep   ChemDB/ChemicalSearch   POCASA   ShaEP   PoseView   VOIDOO   RA   POSIT   ZINClick   LAMMPS   DockoMatic   GFscore   MolScore-Antibiotics   SiMMap   OpenMolGRID   LCT   NRDBSM   Chemtool   metaPocket   Crystal Studio   PharmaGist   iHyperChem   VLife Engine   Leadscope Toxicity Database   DG-AMMOS   NOC   SPRESIweb   ChemCom   ProBuilder   SiteEngine   MOLE db   Indigo   MEXAlert   GlamDock   Pattern Match Counter   MODEL - Molecular Descriptor Lab   DRAR-CPI   Rosetta Ligand   NAMD   HYBRID   Ketcher   Prime     NDKmol   pep:MMs:MIMIC   AutoT&T2   BDT   MetaPrint2D   MetaTASSER   PPB   CueMol   FOBIA   HOMODELLER   MolScore-Antivirals   ADAM   Topomer CoMFA   PocketAnnotate database   CMol   TouchMol Web   REDUCE   Adun molecular simulation   Balloon   MolEdit   SPRESImobile   PocketDepth   PRO_LIGAND   The ADME database   SAR Genetox Database   MED-Ligand   MATCH   Glide Ligand Decoys Set   LeView   Bodil   DOVIS   MMsINC   LOMETS   Shape-it   PatchSearch   GMA (Graph based Molecular Alignment)   ProBiS-CHARMMing   PROMISCUOUS   RaptorX   CLiBE   EUDOC   CDK Descriptor Calculator GUI   DOCK   OpenAstexViewer   LigMerge   ChemDraw   PyRX   Filter-it   MetaDock   DrugMint   OpenBabel   Dundee PRODRG2 Server   sc-PDB   DoGSiteScorer   BioDrugScreen   Modeller   smi23D web service   CombiGlide   PLT   KeyRecep   Binding MOAD (Mother Of All Database)   Surflex-Sim   Blaster   BALL   IXCHEL   CONFLEX   PDBe motifs and Sites   Muse   Cloe Predict   GALAHAD   admetSAR   FlexX, Flex-Ensemble (FlexE)   ChemSpider Mobile   ChemBank   Chemkit   APBS   FlexAID   PaDEL-Descriptor   Key3D   Corina   CHARMMing.org   Itzamna   Virtual library Repository   Online SMILES Translator and Structure File Generator   UM-BBD Pathway Prediction System   SuMo   Coot   Glide Fragment Library   QUARK   Spectrophores   EPOSBP   MOE   Indigo-depict   SkelGen   Abalone   SitesBase   MolScore-Drugs   SCUBIDOO   HHpred   ADMET Predictor   OpenStructure   Computer-Aided Drug-Design Platform using PyMOL   MayaChemTools   hint!   SimiCon   Ligplot+   SVILP_ligand   MS-Dock   MovieMaker   Meteor   ChemProt   Spartan   GROMACS   Biogenerator   kinDOCK   Amber   MultiBind   Zodiac   PocketQuery   BINANA   Molegro Data Modeller   ADDock   Protinfo ABCM   PASS   wwLig-CSRre   ArbAlign   VCharge   TSdb   Align-it   Free ADME Tools   Ascalaph   SuperPred   BindingDB   OSIRIS Property Explorer   HazardExpert Pro   Knodle   ModEval   PharmMapper   SMART   PREPARE   fragmentizer   Computer-Aided Drug-Design Platform using PyMOL   PASS   Friend   LigASite   clogP   CoCoCo   QSAR with CoMFA   COSMOS   ProModel   iScreen   SAR Carcinogenicity Database   Chemspider   NNScore   PreADME   Blind Docking Server   IK   MedChem Studio   Cloe Knowledge   MCSS   LigandScout   iHyperChem Free Version   sc-PDB-Frag   CHARMM-GUI   Blaster   OMEGA   McQSAR   DS Visualizer   SPROUT   GPCRautomodel   MemBuilder   Geno3D   VAMMPIRE   XScore-LogP   EMIL   Molecules   LeadGrow   META   fPOP   CrystalDock   GDD   isoCYP   Epik   ISIS/Draw   CAESA   KeyRecep   Molegro Virtual Docker   LPCCSU   SAR Table   MetaPrint2D-React.   RDKit   H++   Tripos Mol2   Natural product likeness calculator   Dehydron   admetSAR   CASETOX   Derek Nexus   XDrawChem   BetaDock   COSMOS Viewer   SWISS-MODEL   CAVER   Superimposé   SHAFTS   DASPfind   TopoTools   Robetta   GLmol   Imago OCR Visual Tool   PatchDock   TarFisDock   PockDrug   Phase   ICM-Browser   PDBs   fpocket   Zinc15 Database   GLIDA   Force Field Explorer   Imago Console Application   GEMDOCK   pkCSM   Atom 3D   iAPBS   ChemWriter   rDock   Datasets from the Milano Chemometrics and QSAR Research Group   Property calculator   E-Dragon   NNScore   Molinspiration bioactivity score   MOE   ACD/DMSO Solubility   SMARTS format   Discovery Studio ADMET Software   FINDSITE-LHM   ModLoop   Strip-it   MetaTox   SwissADME   VolSurf   phyre   KIN   SLITHER   CASTp   PharmDock   IBIS   TOPAS (now DOGS)   PSILO   PEP-FOLD   VDS   SWISS-MODEL Repository   SuperDrug Database   PharmBench   ChemJuice Grande   Hyde   Mcule database   McVol   DG-AMMOS   New Human GPCR modeling and virtual screening database   Bingo   BUILDER   Pred-hERG   JChem for Excel   GriDock   eHITS_Score   VADAR   PepSite 2   3DLigandSite   MOLARIS-XG   Comparative Toxicogenomics Database (CTD)   WOMBAT-PK   CABS-flex   ModPipe   depict   RasTop   MedChem Studio   SPROUT-HitOpt   Vcharge   MetaSite   MarvinSketch   SePreSA   DEPTH   GalaxyDock   PharmaGist   DockVision   ModWeb   I-TASSER   VSDMIP   PEPstr   istar   KIZIN   FAF-Drugs2   BioAdviser   Almond   Pcetk   SuperLooper   PDB2PQR Server   ACPC   iMolecular Draw   Surflex-Dock   CODESSA Pro   Autogrow   MOIL   CATS   ChemDoodle   BSR   Frog2   MPACK   ACEMD (Accelerating bio-molecular simulations)   ADME-Tox   ALOGPS   Feature Trees   StarDrop   OSRA web service   DSXONLINE   IC50-to-Ki converter   PROtein SURFace ExploreR   VEGA WE   PLATINUM   X-score   MORE   HMMSTR/Rosetta   FunFOLDQA   SimDOCK   SwissDock   I-TASSER   GFscore   PHYSPROP   LIGSITEcsc web server   CoLibri   InChI   VFFDT   Ligand Expo   Target Hunter of Small Molecule   ChemDoodle   WOMBAT   Jmol   GeneSilico Metaserver   PrimaDORAC   DUD   ProteinPrepare   PyRosetta   SDF format   LOMETS   MedChem Designer   Protein Ligand Database (PLD)   PharmMapper   Pdbfil   CueMol for iOS   Codessa   1-Click Scaffold Hop   YASARA View   VinaMPI   STITCH   FlexPepDock   Molecule Viewer 3D   MMTSB   Visual Molecular Dynamics (VMD)   eFindSite   PDBSiteScan   Aggregator Advisor   Chirys Sketch   PDSP   StructureMate   Partial Least Squares Regression (PLSR)   MOE   CheS-Mapper   DrugBank   Chirys Draw   Molegro Virtual Docker   IMPACT-F   TexMol   TASSER-Lite   Hologram QSAR (HQSAR)   IXTAB   DAIM-SEED-FFLD   ChIP   ADRIANA.Code   OSRA   DataWarrior   Autodock Vina plugin for PyMOL   The ADME databases   HyperChem   Metrabase   MolEngine   ToxPredict   ADMET Modeler   ProBis   Chembench   SMPDB   ZincPharmer   ACD/Tox Suite   e-LEA3D   SiteComp   Smiles2Monomers   Metabolizer Preview   ilib diverse   PPS   LCT   ACD/PhysChem Suite   FlipDock   FunFOLD   pymacs   3-D QSAR   Smi2Depict   Hammerhead   LigandFit   ChemMobi   ElectroShape Polypharmacology server   RaptorX web server   3D-Jigsaw   SiteHound-web   KnowItAll - ADME | Tox Edition   Chemsol   The SDF Toolkit in Perl 5   COMPACT   SwissTargetPrediction   CCDC/Astex Validation set   ePMV   WWMM Web Services   fpocket web server   Epik   PoseView   FLAP   ChemT   OLN JSDraw   iMolview   GHECOM web server   PLiP   EA-Inventor   cQSAR   LIGSITEcsc   YASARA Structure   Indigo-cano   TorsionAnalyzer   LiSiCA   NRLiSt   POLYVIEW-MM   ToxiPred   Elemental   JChemPaint   BlueDesc   TOXNET   ParaDockS   SeRAPhiC   OLN Chem4SharePoint   SiteMap   SuperHapten   DockoMatic   Siena   GOLD   TouchMol for Office   COSMOS   Docking At UTMB   iBabel   CoG   BAPPL server   DNP   LoFT   CHARMm   PreDDICTA   ToxCreate   MOE   MolSign   SMARTCyp   PrologP/PrologD   CPHmodels   idTarget   PreADMET   IntFOLD   PDB View 3D   OCHEM Database   RACHEL   Corina online demo   ACD/Structure Design Suite   Accelrys Draw   Indigo   eFindSite   hint!   ESyPred3D   STITCH   PubChem   DITOP   Ball&Stick   Molinspiration WebME Molecule Editor   PocketAnnotate   LigPrep   PDBSITE   DART   SuperToxic   Combinatorial library design   DEPTH   GPCR-Bench   Indigo-deco   LISE   OCHEM   LEADS-PEP   LigPrep   BSP-SLIM   SPORES   BOMB   FragmentStore   ADMEAP   SuperLigands   BARISTA   FITTED   SELECT   FINDSITE   ClogP/CMR   VLifeBase   Catalyst   VEGA ZZ   jsMolEditor   PocketPicker   ChemDiff   GPCRautomodel   Marvin molecule editor and viewer   Protein Preparation Wizard   Pred-Skin   HaptenDB   AutoclickChem   LISE   CAVER   CREDO   MacroModel   aMD   q-TOX   Flux   CONCERTS   DLD   KBDOCK   ChemDoodle Mobile   FLOG   Scaffold Hunter   Virtual LogP   ADMEWORKS Predictor   Structural Database (CSD)   ADAPT   Pharmer   Cavitator   PK-Sim   chunk-TASSER   Pymol   PMP   Biskit   BAPPL complexes set   Open Drug Discovery Toolkit   DNA Drug complex dataset   ChemDiff   HomDock   FoldX   3D Molecule View   PLANTS   FRED   SimCYP for iPhone.   ChemMapper   FINDSITE   istar   MolSketch   DUD.E   e-LEA3D   PerlMol   smi23d   Molinfo   Glide Fragment Library   iGEMDOCK   PDB Hydrogen Addition   Daylight SMILES   ChemSAR   KEGG DRUG   Vconf   ChemDiff   pro-sp3-TASSER   Computer-Aided Drug-Design Platform using PyMOL   SCIGRESS   MOLA   DecoyFinder   GASP   eMolecules   q-ADME   Glide   iMolecular Builder   PDB_Hydro   Fleksy   CoLibri   CLICK   MOE   MolAxis   ADME DB   BKchem   PASSonline   LigBase   PyMOL on the iPad.   Molekel   MED-SuMo   Fconv   ModBase   JKluster   XScore-LogP   Pattern Count Screen   Chemsol web service   BAPPL-Z server   UCSF-FDA Transportal   SEA   Cn3D   MUV   BALLView   AmberTools   Molconn-Z   E-Babel   ChEMBL   AnchorQuery   Approved Drugs   MetaPred   Swiss-PDB Viewer / DeepView   Mol2Mol   pymacs   RasMol   cQSAR   SuperTarget Database   Chem4D   Indigo-depict   Fuzzee   Lazar   EADock   JME Molecular Editor   Kuntz Protein Test Set   SMARTSviewer   MetaDrug   GANDI   Jamberoo   Autodock   SIDER   ACD/ChemSketch   VirtualToxLab   SiteEngine   bSiteFinder   YASARA Dynamics   LUDI   eHiTS   Open3DALIGN   AURAmol   MOE   HMDB   CDocker   ORAC   PyRosetta   Chil2 Viewer   iPharosDreams   Screen Suite   Nucleos   ICM-PocketFinder   eDesign   ProPairs   SCRWL   CNS (Crystallography & NMR System)   MedChem Studio   pKalc   CHARMM   SimCYP   CHAAC   iSpartan   SwissSimilarity   Discovery Studio TOPKAT Software   QuteMol   Leadscope   Autodock Vina plugin for PyMOL   pDynamo   3DLigandSite   DrugLogit   ParamChem   Zinc Database   Allegrow   MCASE   Chrawler   Bioclipse   ReCore   RCSB PDB.   JOElib   SCIGRESS   LEGEND   idock   Open3DQSAR   KKB   HADDOCK   PropKa   DS Visualizer   Chemicalize   Jmol Molecular Visualization   CABS   PACT-F   MEGA   ASEDock   Atomdroid   e-LEA3D   ChemSpotlight   GastroPlus   Tinker   Lead Finder   PDB format   FALC-Loop   Computer-Aided Drug-Design Platform using PyMOL   Legio   WinDock   ChemDB/Datasets   Molcode Toolbox   Ligand Protein DataBase (LPDB)   eDesign   AMMP VE   AquaSol   SiteHound   wwwPDBinder   Aggregator Advisor   PASS   GHECOM   iScreen   PDBbind   Qmol   LipidBuilder   ProSide   POVME   CDK (Chemistry Development Kit)   Binding Database   Protein DataBank (PDB)   SuperCyp   VLifeDock   DDDPlus   MolPad   MolProbity   OPENMD   GLL   ACToR   QSARPro   Build model   LigBuilder   Chemical Identifier Resolver   Pfinder   Chemozart   ScaffoldTreeGenerator   Pose & Rank   KOWWIN - EPI Suite   Toxicity checker   MATCH server   MOE   PSiFR   GLASS   3D Molecules Edit&Drill   AutoclickChem   Imago   ChemIDPlus   iview   ICM   SCORPIO   MEDock   POSIT   DCE ChemPad   Score   R.E.D. Server   SplitPocket   Molprime+   Autodock Vina   SketchEl   IsoMIF   ChEBI   TouchMol Deskop Application   MOLFEAT   DockingServer   iDrug   TIP database   GeometryFit   HURAKAN   CSNAP   Ki Database   Pocketome   PDBinder   ACD/ADME Suite   TTD   MedChem Studio   Mobile Molecular DataSheet   FINDSITECOMB   iProtein   Chem3D for iPad   SwissBioisostere   SMARTSeditor