Directory of computer-aided Drug Design tools

Updated on 8/24/2016. Currently 721 links.
This Tag Cloud representation was created based on the 926093 links that have been followed since 08 Sep 2010

Glide   SPROUT   SkelGen   Glide Fragment Library   MetaPrint2D   DoGSiteScorer   Online SMILES Translator and Structure File Generator   Free ADME Tools   YASARA View   CPHmodels   iSpartan   DTome   TouchMol Web   PROPKA   Ki Database   MED-SuMo   phyre   rDock   ProPairs   PLANTS   PASSonline   Dundee PRODRG2 Server   PubChem   BSR   ToxTree   istar   MOLA   iHyperChem   PoseView   GLmol   COPICAT   Cavitator   Spartan   Corina online demo   Chem4D   CLICK   NRDBSM   SiteComp   MOE   KnowItAll - ADME | Tox Edition   CheS-Mapper   MSPocket   TASSER-Lite   HADDOCK   pDynamo   FunFOLD   ACD/DMSO Solubility   KeyRecep   sc-PDB-Frag   DS Visualizer   Chemsol web service   ADMET Predictor   Active Site Prediction   CCDC/Astex Validation set   RCSB PDB.   Qmol   Molinfo   SimCYP   Frog2   StructureMate   3D-Jigsaw   Leadscope Toxicity Database   MolPad   COSMOS   MolProbity   ASEDock   ADRIANA.Code   SuperCyp   SPRESIweb   PREPARE   Pocketome   SVILP_ligand   MOE   Nucleos   SiteHound   CoCoCo   DAIM-SEED-FFLD   FINDSITE-LHM   HSITE   Hyde   Natural product likeness calculator   BAPPL-Z server   Superpose   SuperDrug Database   PharmMapper   Metrabase   MUV   PredictFX   MetaTASSER   ZincPharmer   QSARPro   XScore-LogP   MEGA   Friend   MEDock   SimCYP for iPhone.   SwissParam   JChem for Excel   FOBIA   CODESSA Pro   DockoMatic   JME Molecular Editor   EADock   NNScore   eHiTS   CrystalDock   BioAdviser   UCSF-FDA Transportal   FlipDock   HazardExpert Pro   Mcule database   iGEMDOCK   SwissTargetPrediction   TTD   GHECOM   MolScore-Drugs   e-LEA3D   ACD/PhysChem Suite   Leadscope   Fconv   Hologram QSAR (HQSAR)   FlexAID   SplitPocket   ToxPredict   POVME   jsMolEditor   iMolecular Draw   Smiles2Monomers   PocketAnnotate   PSiFR   chunk-TASSER   cQSAR   Property calculator   MATCH   Dehydron   PerlMol   GLASS   VAMMPIRE-LORD   Chirys Sketch   Ketcher   LCT   Target Hunter of Small Molecule   CLiDE   MolScore-Antivirals   DLD   VSDMIP   EUDOC   Chirys Draw   Molconn-Z   Pdbfil   SuperHapten   CREDO   OSRA web service   Vconf   Smi2Depict   DUD.E   PROMISCUOUS   R.E.D. Server   Elemental   ADMEAP   iProtein   ChemWriter   Zinc15 Database   pymacs   SePreSA   SHAFTS   AURAmol   ADAPT   WWMM Web Services   The SDF Toolkit in Perl 5   REACTOR   VLifeBase   Chemsol   QuteMol   eHITS_Score   PASS   LOMETS   PLATINUM   SPORES   SuperLooper   PASS   POSIT   Epik   ChemProt   Corina   Blaster   GASP   WOMBAT   Robetta   JChem for Excel   q-ADME   MedChem Studio   LoFT   CueMol for iOS   DOVIS   fPOP   Indigo-depict   SimiCon   iKinase Universal   XScore-LogP   Biogenerator   FlexNovo   ChIP   eDesign   iScreen   MacroModel   SMPDB   DUD   CDK Descriptor Calculator GUI   GMA (Graph based Molecular Alignment)   BINANA   Aggregator Advisor   PharmMapper   OCHEM   JOElib   DG-AMMOS   ReCore   cQSAR   ISE-Dock   PROtein SURFace ExploreR   COMPACT   MetaSite   OCHEM Database   Discovery Studio TOPKAT Software   PRO_LIGAND   VEGA ZZ   DS Visualizer   Imago   Computer-Aided Drug-Design Platform using PyMOL   MolSketch   CONCERTS   RDKit   LISE   ChemBank   QUARK   Surflex-Sim   NDKmol   Geno3D   VOIDOO   MarvinSketch   TIP database   IntFOLD   SCORPIO   SwissBioisostere   POSIT   LigASite   Vcharge   Molcode Toolbox   smi23D web service   DockoMatic   MetabolExpert   Chem3D for iPad   ParamChem   Crystal Studio   CSAR   ProBiS-CHARMMing   HaptenDB   Ligand Expo   Fleksy   fragmentizer   SuperTarget Database   Accelrys Draw   1-Click Scaffold Hop   pKalc   AtomicChargeCalculator   kinDOCK   Filter-it   BlueDesc   IsoMIF   AnchorQuery   DataWarrior   SCRWL   Molecule Viewer 3D   OpenSMILES   Computer-Aided Drug-Design Platform using PyMOL   SiteEngine   NOC   Coot   SCIGRESS   OSRA   VinaMPI   fpocket web server   3DLigandSite   MS-Dock   ChEMBL   smi23d   Molinspiration WebME Molecule Editor   MemBuilder   Fuzzee   McQSAR   CABS-flex   LigandScout   IMPACT-F   ChemSpotlight   Tuplets   Molegro Virtual Docker   CNS (Crystallography & NMR System)   Molegro Data Modeller   Hammerhead   DRAR-CPI   RACHEL   FAF-Drugs2   ADDock   CASTp   SitesBase   LCT   GPCRautomodel   Lazar   EMIL   PocketPicker   PEP-FOLD   metaPocket   SeRAPhiC   HomDock   Visual Molecular Dynamics (VMD)   LigMerge   SCIGRESS   HYBRID   PharmaGist   OSIRIS Property Explorer   Feature Trees   sc-PDB   LeadGrow   JKluster   TouchMol Deskop Application   SMARTSviewer   I-TASSER   ReverseScreen3D   PubChem Mobile   GeneSilico Metaserver   BSP-SLIM   SELECT   Allegrow   MOLFEAT   Bioclipse   ParaDockS   ePMV   Chemspider   Almond   LigandFit   SWISS-MODEL Repository   CAESA   Cloe Knowledge   Jmol Molecular Visualization   eFindSite   GOLD   hint!   AutoT&T2   OncoLogic   PocketQuery   GastroPlus   MODEL - Molecular Descriptor Lab   Spectrophores   PropKa   Marvin molecule editor and viewer   PDBs   GEMDOCK   LIGSITEcsc web server   SAR Carcinogenicity Database   pkCSM   Tripos Mol2   GDD   VEGA WE   IBIS   MCSS   Indigo-depict   PDB format   Amber   Balloon   BDT   CoLibri   FRED   ModEval   LUDI   Muse   ToxCreate   ChemDes   CombiGlide   X-score   Kuntz Protein Test Set   OSIRIS Property Explorer   Bluto   PASS   PDB Hydrogen Addition   Virtual library Repository   CHARMM   Toxicity checker   NAMD   PACT-F   Q-SiteFinder   Pose & Rank   ORAC   Shape-it   PLT   LOMETS   ShaEP   Chemtool   TouchMol for Office   SWISS-MODEL   ACEMD (Accelerating bio-molecular simulations)   Swiss-PDB Viewer / DeepView   ProBuilder   Modeller   ChemDB/Datasets   SAR Genetox Database   TOPAS (now DOGS)   ModLoop   TopoTools   SEA   MetaDock   Phase   Scaffold Hunter   FINDSITECOMB   DG-AMMOS   Chemical Identifier Resolver   UM-BBD Pathway Prediction System   PDB View 3D   LIGSITEcsc   Computer-Aided Drug-Design Platform using PyMOL   Score   FLAP   iMolecular Builder   e-Drug3D   SMART   Abalone   ICM   Datasets from the Milano Chemometrics and QSAR Research Group   Zinc Database   Avogadro   Chemicalize   eHiTS_LASSO   DDDPlus   FragmentStore   JChemPaint   Autogrow   Imago Console Application   DEPTH   HitPick   ACD/ChemSketch   HyperChem   Codessa   Autodock Vina plugin for PyMOL   LUNA   RaptorX web server   MultiBind   Binding MOAD (Mother Of All Database)   LipidBuilder   KOWWIN - EPI Suite   Mol2Mol   SAR Table   KKB   INDDEx   Pharmer   CheVi   Autodock Vina plugin for PyMOL   iScreen   iview   BALLView   3D Molecule View   QUASI   BOMB   ChemDraw for iPad   admetSAR   KBDOCK   VolSurf   Pattern Count Screen   SwissSideChain   CABS   FlexPepDock   PDBinder   ChemIDPlus   3D Molecules Edit&Drill   VDS   PharmBench   iMolview   ADMEWORKS Predictor   ChemDoodle Mobile   PocketDepth   pymacs   E-novo   admetSAR   HHpred   CHARMM-GUI   MolEngine   UCSF Chimera   ChemMapper   Topomer CoMFA   hint!   Screen Suite   Meteor   PharmDock   Partial Least Squares Regression (PLSR)   PDB_Hydro   ChemMobi   DNA Drug complex dataset   New Human GPCR modeling and virtual screening database   PyMOL on the iPad.   CueMol   OpenStructure   FINDSITE-LHM   Discovery Studio ADMET Software   GlamDock   ModPipe   VAMMPIRE   GLL   OpenMolGRID   istar   pro-sp3-TASSER   GriDock   PDBSITE   GFscore   SiteHound-web   ICM-Browser   SwissSimilarity   Molprime+   GANDI   FINDSITE   SIDER   McVol   VFFDT   LISE   Chrawler   QSAR with CoMFA   Virtual LogP   MetaPrint2D-React.   Protein Preparation Wizard   Molinspiration bioactivity score   Chemozart   Ligand Expo   ilib diverse   SPRESImobile   ChemDoodle   Open3DALIGN   MolSign   PreDDICTA   PocketPicker web server   Pattern Match Counter   LPCCSU     LigPrep   Computer-Aided Drug-Design Platform using PyMOL   H++   Bodil   CoG   APBS   Protinfo ABCM   LEADS-PEP   LigBase   fpocket   EA-Inventor   MedChem Studio   MEXAlert   ESyPred3D   ChemT   SuperLigands   Surflex-Dock   ChemDiff   SwissDock   e-LEA3D   ModBase   Glide Fragment Library   LAMMPS   PDB2PQR Server   ChemJuice Grande   ADAM   Catalyst   SimDOCK   PatchDock   SPROUT-HitOpt   HMMSTR/Rosetta   Superimposé   TSdb   MOIL   Tinker   Indigo-deco   idock   SLITHER   FlexX, Flex-Ensemble (FlexE)   GROMACS   eMolecules   Pfinder   PMP   PrologP/PrologD   MOLARIS-XG   GLIDA   Glide Ligand Decoys Set   clogP   HMDB   SCUBIDOO   DART   PaDEL-Descriptor   DEPTH   E-Dragon   FINDSITE   ALOGPS   ChemSpider Mobile   Mobile Molecular DataSheet   DASPfind   BindingDB   BREED   Blaster   iHyperChem Free Version   The ADME databases   LiSiCA   ToxiPred   Legio   DSXONLINE   Adun molecular simulation   GFscore   iAPBS   SMARTCyp   BAPPL server   DrugBank   Autodock   Corina   QikProp   ADMET Modeler   DrugMint   Pymol   CAVER   SMARTCyp Web Service   MolScore-Antibiotics   GALAHAD   Open3DQSAR   PockDrug   Molegro Virtual Docker   Combinatorial library design   GIF/PNG-Creator   Desmond   XDrawChem   PredictFX   iDrug   Binding Database   Structural Database (CSD)   NNScore   ACD/Tox Suite   PepSite 2   Jmol   OPENMD   Biskit   PyRosetta   DCE ChemPad   SuperToxic   CDocker   PEPstr   3DLigandSite   ScaffoldTreeGenerator   META   Rosetta Ligand   CMol   YASARA Structure   Screen2   Cn3D   PharmaGist   Atom 3D   KeyRecep   MolAxis   SiMMap   Align-it   LigBuilder   GPCRautomodel   ACToR   PPS   ChemCom   CASETOX   Imago OCR Visual Tool   GeometryFit   MedChem Designer   E-Babel   Vcharge   COSMOS   bSiteFinder   CATS   Comparative Toxicogenomics Database (CTD)   OpenBabel   ICM-PocketFinder   CDK (Chemistry Development Kit)   MPACK   SiteMap   BetaDock   SuperPred   RaptorX   BAPPL complexes set   CHARMm   Siena   NRLiSt   AffinDB   ChemSpider's InChI resolver   MORE   Ligand Protein DataBase (LPDB)   Pocket-Finder   MovieMaker   DrugLogit   SURFNET   MayaChemTools   LigPrep   LEGEND   WOMBAT-PK   FITTED   SwissADME   isoCYP   OMEGA   ProBis   VLife Engine   The ADME database   PHYSPROP   CAVER   ZINClick   Aggregator Advisor   ChemDiff   Ascalaph   t3db   q-TOX   smirep   Docking At UTMB   TCM   Prime   ADME DB   PDBe motifs and Sites   KEGG DRUG   Knodle   TarFisDock   ACPC   RasMol   ADMEWORKS ModelBuilder   Key3D   OLN Chem4SharePoint   Protein Ligand Database (PLD)   CACTVS   TexMol   WinDock   Build model   CHARMMing.org   ProModel   ChemDraw   EPOSBP   PDSP   SIDER   depict   iPharosDreams   Protein DataBank (PDB)   ChemDB/ChemicalSearch   BALL   eFindSite   ChEBI   PreADME   VLifeDock   TorsionAnalyzer   TouchMol Mobile App   BioDrugScreen   HOMODELLER   ACD/ADME Suite   Cloe Predict   DOCK   CoLibri   SMARTS format   Metabolizer Preview   PoseView   REDUCE   Strip-it   CONFLEX   Daylight SMILES   MMTSB   TOXNET   BARISTA   StarDrop   STITCH   ChemJuice   Pardock   YASARA Dynamics   idTarget   MCASE   Atomdroid   PK-Sim   Molekel   Indigo   iBabel   ProCESS   SiteEngine   PyRosetta   Force Field Explorer   VADAR   ISIS/Draw   Molecules   DecoyFinder   DITOP   FALC-Loop   Indigo-cano   SMARTSeditor   ProSide   PocketAnnotate database   GPCR-Bench   AmberTools   1-Click Docking   Chil2 Viewer   POLYVIEW-MM   PDBbind   ChemDoodle   Epik   ElectroShape Polypharmacology server   MetaPred   Indigo   e-LEA3D   BKchem   Approved Drugs   RasTop   DNP   GalaxyDock   ConCavity   FLOG   AMMP VE   Derek Nexus   BUILDER   STITCH   OLN JSDraw   DockVision   PyRX   DockingServer   MetaDrug   MedChem Studio   Jamberoo   OpenAstexViewer   Bingo   SketchEl   PDBSiteScan   InChI   3-D QSAR   GHECOM web server   eDesign   ParaDockS   Open Drug Discovery Toolkit   Chemkit   pep:MMs:MIMIC   Pcetk   AquaSol   OSIRIS Property Explorer   SDF format   MOLE db   Desmond Absolute Solvation Free Energies Set   AutoclickChem   SuMo   Lead Finder   Autodock Vina   ModWeb   POCASA   FunFOLDQA   wwwPDBinder   IC50-to-Ki converter   ChemDiff   I-TASSER   MolEdit   ACD/Structure Design Suite   CLiBE   aMD   MED-Ligand   ADME-Tox   MATCH server   wwLig-CSRre   Flux   COSMOS Viewer   Ball&Stick   MedChem Studio   ClogP/CMR   VirtualToxLab   MMsINC