Directory of computer-aided Drug Design tools

Updated on 6/14/2013. Currently 755 links.
This Tag Cloud representation was created based on the 82072 links that have been followed since 08 Sep 2010

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