Drug DesignModels, MolecularComputer-Aided DesignCrystallography, X-RayMolecular Docking SimulationStructure-Activity RelationshipBinding SitesLigandsProtein ConformationQuantitative Structure-Activity RelationshipProtein BindingMolecular Sequence DataAmino Acid SequenceMolecular StructureDrug DiscoveryResearch DesignCystine Knot MotifsMolecular ConformationProtein Structure, TertiaryProteinsProtein Processing, Post-TranslationalCatalytic DomainMolecular Dynamics SimulationHydrogen BondingStructural Homology, ProteinCystine-Knot MiniproteinsComputer SimulationPharmaceutical PreparationsAlgorithmsModels, ChemicalProtein Structure, SecondaryComputational BiologySmall Molecule LibrariesDrug Evaluation, PreclinicalThermodynamicsCyclotidesEnzyme InhibitorsKineticsSoftwareSubstrate SpecificityDrug Delivery SystemsHistonesMutationDatabases, ProteinSequence Homology, Amino AcidEquipment DesignPeptidesDatabases, PharmaceuticalChemistry, PharmaceuticalSequence AlignmentMagnetic Resonance SpectroscopyBoranesModels, BiologicalNuclear Magnetic Resonance, BiomolecularLipoxygenasesCrystallizationInformaticsHydrophobic and Hydrophilic InteractionsBase SequenceMethylationMutagenesis, Site-DirectedProtein EngineeringLysineRecombinant ProteinsInhibitory Concentration 50Escherichia coliHeterocyclic Compounds, 2-RingAcetylationUser-Computer InterfaceAntineoplastic AgentsProtein Interaction Domains and MotifsHigh-Throughput Screening AssaysTime FactorsHIV ProteaseProtein Structure, QuaternaryCatalysisPhosphorous AcidsHIV Integrase InhibitorsCysteineProtein Interaction MappingMass SpectrometryInternetNeoplasmsEnzymesCell LineCombinatorial Chemistry TechniquesAllosteric SiteProtein FoldingEpigenesis, GeneticStatic ElectricityDNAProtein MultimerizationSequence Analysis, ProteinSignal TransductionDatabases, FactualBacterial ProteinsReceptors, G-Protein-CoupledAmino Acid SubstitutionOxidation-ReductionPliability