Directory of computer-aided Drug Design tools

Updated on 9/20/2013. Currently 781 links.
This Tag Cloud representation was created based on the 105845 links that have been followed since 08 Sep 2010

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