Directory of computer-aided Drug Design tools

Updated on 4/5/2018. Currently 807 links.
This Tag Cloud representation was created based on the 1413531 links that have been followed since 08 Sep 2010

metaPocket   Friend   Accelrys Draw   OLN Chem4SharePoint   PDB Hydrogen Addition   LIGSITE^csc   SAR Carcinogenicity Database   CPHmodels   Discovery Studio TOPKAT Software   Qmol   AutoT&T2   PASS   ACD/DMSO Solubility   SiteEngine   HyperChem   MolProbity     ACToR   CoCoCo   KEGG DRUG   Ki Database   FINDSITE   Vcharge   GFscore   Biogenerator   PLATINUM   DockoMatic   QuteMol   ChemJuice   StarDrop   REDUCE   CABRAKAN   Filter-it   Allegrow   CACTVS   iMolecular Builder   Ascalaph   Chembench   BlueDesc   BiKi   Legio   HaptenDB   AutoclickChem   MEGA   LeadGrow   Cn3D   MolSketch   SwissSideChain   NNScore   wwwPDBinder   PDB_Hydro   PreADME   PRO_LIGAND   COSMOS Viewer   CASETOX   SwissBioisostere   ChemBank   SuperLigands   DockVision   Open Drug Discovery Toolkit   SAR Genetox Database   MSPocket   Strip-it   Pymol   Build model   DLD   SMARTSviewer   BDT   CueMol   Structural Database (CSD)   Molcode Toolbox   AquaSol   Visual Molecular Dynamics (VMD)   PASSonline   SURFNET   WOMBAT-PK   FunFOLD   ilib diverse   BAPPL-Z server   GROMACS   iMolview   MED-SuMo   cQSAR   OncoLogic   BioAdviser   DEPTH   MS-Dock   CoLibri   iview   MemBuilder   Spectrophores   CLiBE   LiSiCA   PepSite 2   Smiles2Monomers   The ADME databases   MOLA   Tripos Mol2   ADRIANA.Code   Pocketome   PSiFR   Active Site Prediction   QSAR with CoMFA   DecoyFinder   SimCYP for iPhone.   Glide Fragment Library   UCSF-FDA Transportal   GOLD   ADAM   SuperTarget Database   LAMMPS   Atom 3D   CLICK   GLmol   Glide   Blaster   RasMol   HURAKAN   GastroPlus   VEGA ZZ   DS Visualizer   PDB format   iMolecular Draw   PDB2PQR Server   OSIRIS Property Explorer   t3db   PL-PatchSurfer2   MayaChemTools   LoFT   DSX^ONLINE   GriDock   MolScore-Drugs   ESyPred3D   DrugLogit   GPCRautomodel   BioDrugScreen   MacroModel   FINDSITE-LHM   CueMol for iOS   OPENMD   POSIT   iPred   SuperDRUG2   SwissParam   ACD/Structure Design Suite   Hammerhead   PDBs   Flux   e-LEA3D   CCDC/Astex Validation set   Chirys Sketch   PPS   1-Click Scaffold Hop   MolEdit   GPCRautomodel   FunFOLDQA   SIDER   BALL   Crystal Studio   FITTED   TTD   SiteHound   Bingo   VOIDOO   HADDOCK   Chemicalize   DockoMatic   Epik   SWISS-MODEL   HHpred   FRED   Desmond   TexMol   SwissDock   Aggregator Advisor   Tuplets   PreDDICTA   MetaPrint2D   FALC-Loop   fPOP   SketchEl   LipidBuilder   Hologram QSAR (HQSAR)   GROMACS   SuperHapten   HazardExpert Pro   GMA (Graph based Molecular Alignment)   SuMo   AMMP VE   Catalyst   PockDrug   MCASE   Pcetk   wwLig-CSRre   SPORES   Phase   SCUBIDOO   HYBRID   pkCSM   Pharmer   SeeSAR   IXTAB   ChemMobi   SwissADME   DoGSiteScorer   LeView   COSMOS   ChemJuice Grande   GIF/PNG-Creator   Natural product likeness calculator   ModPipe   CODESSA Pro   Itzamna   eFindSite   XScore-LogP   MolSign   MarvinSketch   Metrabase   ZincPharmer   DUD.E   ChemDoodle   Pred-hERG   IMPACTS   ChemDiff   Docking At UTMB   MMsINC   MetaDrug   DNA Drug complex dataset   SiteComp   ChEMBL   PatchDock   PyRX   Smi2Depict   ClogP/CMR   LigandScout   Target Hunter of Small Molecule   IXCHEL   Partial Least Squares Regression (PLSR)   GalaxyDock   Molconn-Z   ProBuilder   PROPKA   LCT   CSNAP   MODEL - Molecular Descriptor Lab   RaptorX web server   Spartan   DNP   CASTp   MetabolExpert   NRDBSM   MetaSite   SAR Table   CDK (Chemistry Development Kit)   MOIL   Fuzzee   MolEngine   FINDSITE^COMB   EADock   iHyperChem   FlexX, Flex-Ensemble (FlexE)   PocketQuery   OpenBabel   ADME-Tox   PoseView   OMEGA   ADMEWORKS ModelBuilder   Chem3D for iPad   HitPick   Mobile Molecular DataSheet   TarFisDock   fpocket web server   ICM-Browser   Protein Ligand Database (PLD)   OpenStructure   Pose & Rank   ReCore   Imago   JOElib   CHARMM-GUI   MOE   RA   LigPrep   FLAP   ArbAlign   TASSER-Lite   admetSAR   PLT   GALAHAD   sc-PDB   Swiss-PDB Viewer / DeepView   Hyde   NAMD   ChemT   JChem for Excel   LigBuilder   Computer-Aided Drug-Design Platform using PyMOL   eMolecules   Protinfo ABCM   Autodock Vina plugin for PyMOL   Score   DrugBank   Kuntz Protein Test Set   e-LEA3D   PubChem Mobile   BSR   FAME2   ChemDraw   Computer-Aided Drug-Design Platform using PyMOL   SwissTargetPrediction   pymacs   eDesign   LOMETS   PreADMET   jsMolEditor   OSIRIS Property Explorer   LigASite   sc-PDB-Frag   SiMMap   QUARK   SDF format   MOE   Protein Preparation Wizard   Phosfinder   Approved Drugs   JKluster   PDBSiteScan   ChemCom   phyre   Chrawler   ISE-Dock   ProteinPrepare   FlexPepDock   Lazar   ConCavity   Open3DALIGN   STITCH   TorsionAnalyzer   PK-Sim   SPRESI^mobile   fpocket   LISE   CHAAC   Computer-Aided Drug-Design Platform using PyMOL   Vconf   ChemSpider Mobile   OCHEM   CHARMM   TouchMol Deskop Application   PoseView   Leadscope   ChemDoodle   LOMETS   PerlMol   Molprime+   DG-AMMOS   PDBSITE   MedChem Designer   PASS   SMARTS format   EMIL   R.E.D. Server   PROMISCUOUS   Molinspiration WebME Molecule Editor   idock   UCSF Chimera   I-TASSER   3D Molecule View   Shape-it   HMDB   RaptorX   PPB   FAF-Drugs2   MetaPrint2D-React.   1-Click Docking   DASPfind   MATCH   AnchorQuery   ChIP   CDocker   Chirys Draw   ChemDiff   CATS   VSDMIP   Pattern Count Screen   ModEval   SPRESI^web   H++   OpenSMILES   ParamChem   SuperLooper   Molegro Virtual Docker   FINDSITE-LHM   TopoTools   iScreen   PASS   Open3DQSAR   Adun molecular simulation   APBS   ACEMD (Accelerating bio-molecular simulations)   SCRWL   The ADME database   e-Drug3D   ZINClick   Siena   VEGA WE   IBIS   ICM-PocketFinder   FlexAID   Autodock   depict   Geno3D   DAIM-SEED-FFLD   AffinDB   Toxicity checker   Protein DataBank (PDB)   Dundee PRODRG2 Server   MovieMaker   ISIS/Draw   ICM   DOCK   SILCS   SCORPIO   Blaster   PyRosetta   OLN JSDraw   PEPstr   PyMOL on the iPad.   Glide Ligand Decoys Set   BUILDER   iProtein   GDD   Chemspider   VCharge   GHECOM   Meteor   Aggregator Advisor   VFFDT   GLIDA   ModLoop   DOVIS   LigPrep   Chem4D   Ketcher   ChemDiff   ADMET Modeler   Free ADME Tools   PDBbind   OpenAstexViewer   Fconv   POCASA   MEXAlert   Jmol Molecular Visualization   E-novo   pDynamo   PharmaGist   ChemIDPlus   Autodock Vina plugin for PyMOL   SWISS-MODEL Repository   TOXNET   SuperPred   LigandFit   TouchMol Web   TIP database   fragmentizer   ChemMapper   Key3D   iGEMDOCK   Virtual LogP   PDBe motifs and Sites   McQSAR   DTome   ToxiPred   MetaPred   HMMSTR/Rosetta   DART   Cloe Knowledge   BindingDB   Elemental   Glide Fragment Library   HOMODELLER   Zodiac   iAPBS   3-D QSAR   VAMMPIRE   SLITHER   Ligplot+   CheS-Mapper   PharmMapper   POLYVIEW-MM   MedChem Studio   ToxPredict   Binding Database   YASARA Dynamics   KBDOCK   Ligand Expo   GLASS   ACD/ChemSketch   ORAC   REACTOR   Coot   Abalone   Zinc Database   DG-AMMOS   VLifeBase   YASARA View   ChemDoodle Mobile   MOLARIS-XG   MultiBind   IMPACT-F   Amber   NNScore   DS Visualizer   BINANA   MPACK   CABS   ADMEWORKS Predictor   Chemozart   SELECT   ePMV   Molinspiration bioactivity score   Pdbfil   EUDOC   Ligand Expo   SMARTCyp Web Service   MEDock   WOMBAT   MOE   PocketPicker web server   CNS (Crystallography & NMR System)   SMARTCyp   LISE   iPharosDreams   YASARA Structure   AmberTools   HomDock   Pattern Match Counter   Molinfo   Binding MOAD (Mother Of All Database)   MATCH server   ACPC   LigMerge   VADAR   isoCYP   DEPTH   CDK Descriptor Calculator GUI   clogP   LigBase   GANDI   JChem for Excel   Surflex-Sim   istar   iSpartan   CMol   HSITE   ProSide   Superpose   KnowItAll - ADME | Tox Edition   Fleksy   JChemPaint   Surflex-Dock   Scaffold Hunter   MedChem Studio   PocketAnnotate   LEADS-PEP   FLOG   DITOP   BARISTA   ACD/Tox Suite   MOE   Lead Finder   Chemical Identifier Resolver   CoG   PACT-F   PrimaDORAC   LIGSITE^csc web server   POSIT   PropKa   eDesign   ScaffoldTreeGenerator   Molekel   MOE   hint!   Molecule Viewer 3D   ADME DB   ProBiS-CHARMMing   MOE   PLiP   Mol2Mol   PrologP/PrologD   BAPPL complexes set   WinDock   E-Babel   PDB View 3D   SiteHound-web   FINDSITE   ModWeb   Marvin molecule editor and viewer   KOWWIN - EPI Suite   ChemDB/ChemicalSearch   CombiGlide   Computer-Aided Drug-Design Platform using PyMOL   LEGEND   DDDPlus   ElectroShape Polypharmacology server   CONCERTS   JME Molecular Editor   NOC   PocketPicker   SPiDER   BAPPL server   Bioclipse   ADMET Predictor   RasTop   PharmDock   ChemProt   Feature Trees   MCSS   ProModel   KIN   I-TASSER   ACD/ADME Suite   GEMDOCK   chunk-TASSER   ChemSpotlight   ParaDockS   GLL   Autogrow   3D-Jigsaw   Cloe Predict   NDKmol   eFindSite   POVME   X-score   PROtein SURFace ExploreR   ProPairs   Prime   Daylight SMILES   e-LEA3D   Corina   SimDOCK   DrugMint   INDDEx   Epik   pep:MMs:MIMIC   Biskit   DockingServer   smi23d   Frog2   Indigo-cano   Cavitator   PDBinder   Indigo-depict   MOE   Topomer CoMFA   PubChem   Codessa   MetaDock   IntFOLD   iKinase Universal   FragmentStore   BOMB   PDSP   StructureMate   Discovery Studio ADMET Software   Corina   VLife Engine   ModBase   Leadscope Toxicity Database   KeyRecep   XDrawChem   ParaDockS   PharmMapper   RACHEL   Chemsol   MUV   iHyperChem Free Version   QikProp   Property calculator   The SDF Toolkit in Perl 5   Dehydron   Jamberoo   SCIGRESS   LCT   SMARTSeditor   Online SMILES Translator and Structure File Generator   Pred-Skin   Bluto   VLifeDock   AURAmol   FORECASTER   TCM   pro-sp3-TASSER   Mcule database   3DLigandSite   CrystalDock   smi23D web service   Derek Nexus   OpenMolGRID   Datasets from the Milano Chemometrics and QSAR Research Group   Chil² Viewer   ChemDraw for iPad   SVILP_ligand   PhAST   Screen2   PMP   Molecules   CHARMm   PUMA   VDS   MetaTox   hint!   BKchem   KIZIN   Virtual library Repository   Knodle   QSARPro   XScore-LogP   3DLigandSite   MORE   PatchSearch   ShaEP   GFscore   LigParGen   BetaDock   Tinker   Imago OCR Visual Tool   COMPACT   OSRA web service   SHAFTS   VAMMPIRE-LORD   PHYSPROP   Modeller   TRAPP   VirtualToxLab   PaDEL-Descriptor   DUD   AlloDeco   DataWarrior   smirep   COSMOS   RDKit   PocketDepth   SwissSimilarity   iDrug   3D Molecules Edit&Drill   Zinc15 Database   KeyRecep   Molegro Data Modeller   MOLFEAT   CABS-flex   VolSurf   ToxCreate   Indigo-deco   Ligand Protein DataBase (LPDB)   Imago Console Application   Balloon   MolScore-Antivirals   IC₅₀-to-K_i converter   Almond   CoLibri   MedChem Studio   BREED   SEA   AutoclickChem   ALOGPS   E-Dragon   ChemSAR   Autodock Vina   BSP-SLIM   Comparative Toxicogenomics Database (CTD)   SIDER   TouchMol for Office   Jmol   ChemWriter   istar   META   OSRA   BALLView   OCHEM Database   SimCYP   MetaTASSER   Rosetta Ligand   SuperCyp   Superimposé   aMD   SMPDB   RCSB PDB.   Indigo   MMTSB   Ball&Stick   CONFLEX   IsoMIF   Corina online demo   GHECOM web server   CREDO   KKB   InChI   NRLiSt   CAVER   ACD/PhysChem Suite   GlamDock   SiteMap   ChEBI   ChemDB/Datasets   GPCR-Bench   Nucleos   idTarget   LUDI   SplitPocket   Chemkit   SimiCon   PEP-FOLD   MolPad   FlipDock   Blind Docking Server   GeneSilico Metaserver   Align-it   IK   GASP   PLANTS   Pardock   rDock   New Human GPCR modeling and virtual screening database   Avogadro   UM-BBD Pathway Prediction System   PharmaGist   FoldX   Combinatorial library design   PSILO   iBabel   iScreen   SiteEngine   Force Field Explorer   PyRosetta   MED-Ligand   Chemtool   pymacs   MolScore-Antibiotics   CHARMMing.org   Robetta   DCE ChemPad   STITCH   pKalc   Indigo-depict   ADMEAP   ASEDock   kinDOCK   Indigo   MolAxis   SCIGRESS   Atomdroid   MOLE db   Molegro Virtual Docker   Metabolizer   MedChem Studio   Chemsol web service   SuperToxic   cQSAR   ProBis   admetSAR   CAVER   Bodil   VinaMPI   ADAPT