Drug DesignDrug DiscoveryModels, MolecularComputer-Aided DesignDrug Delivery SystemsMolecular Docking SimulationCrystallography, X-RayEnergy MetabolismDrug Evaluation, PreclinicalLipid MetabolismLigandsStructure-Activity RelationshipMolecular StructureBinding SitesPharmaceutical PreparationsProtein ConformationProtein BindingQuantitative Structure-Activity RelationshipMolecular Sequence DataSmall Molecule LibrariesAmino Acid SequenceEnzyme InhibitorsAntineoplastic AgentsResearch DesignCystine Knot MotifsMolecular Targeted TherapyComputational BiologyProteinsComputer SimulationProtein Structure, TertiaryModels, BiologicalAlgorithmsMolecular ConformationChemistry, PharmaceuticalKineticsMetabolismHigh-Throughput Screening AssaysMolecular Dynamics SimulationCatalytic DomainCystine-Knot MiniproteinsDrug RepositioningSignal TransductionGlucoseStructural Homology, ProteinInhibitory Concentration 50Substrate SpecificityHydrogen BondingMutationNeoplasmsCell Line, TumorTime FactorsDrugs, InvestigationalModels, ChemicalCyclotidesMagnetic Resonance SpectroscopyAntiprotozoal AgentsDose-Response Relationship, DrugProtein Structure, SecondaryLiverSequence Homology, Amino AcidThermodynamicsMetabolic Networks and PathwaysSequence AlignmentDrug CarriersSoftwareReceptors, G-Protein-CoupledPeptidesDrug IndustryDisease Models, AnimalBacterial ProteinsRecombinant ProteinsGene Expression ProfilingCell LineOxidation-ReductionDatabases, PharmaceuticalCells, CulturedAntiviral AgentsDatabases, ProteinBiotransformationEquipment DesignLipoxygenasesCell SurvivalEnzymesApoptosisProtein Kinase InhibitorsBoranesDrug Screening Assays, AntitumorInformaticsMycobacterium tuberculosisReproducibility of ResultsCytochrome P-450 Enzyme SystemMicrosomes, LiverHeterocyclic Compounds, 2-RingNuclear Magnetic Resonance, BiomolecularCell ProliferationCrystallizationGlycolysisBase SequenceNanoparticlesAnti-Bacterial Agents