ProdrugsDrug DesignComputer-Aided DesignModels, MolecularMolecular StructureMolecular Docking SimulationCrystallography, X-RayStructure-Activity RelationshipQuantitative Structure-Activity RelationshipEstersLigandsBinding SitesProtein ConformationDrug DiscoveryDrug Delivery SystemsResearch DesignCystine Knot MotifsProtein BindingDrug Evaluation, PreclinicalMolecular ConformationDrug StabilityPharmaceutical PreparationsChemistry, PharmaceuticalAmino Acid SequenceMolecular Dynamics SimulationCystine-Knot MiniproteinsInhibitory Concentration 50Molecular Sequence DataStructural Homology, ProteinCatalytic DomainModels, ChemicalHydrogen BondingAntineoplastic AgentsComputer SimulationProtein Structure, TertiaryAntiviral AgentsSmall Molecule LibrariesCyclotidesProteinsAlgorithmsBiotransformationHydrolysisComputational BiologyAniline MustardProtein Structure, SecondaryEnzyme InhibitorsAmpyroneFloxuridineThermodynamicsDrug Screening Assays, AntitumorSubstrate SpecificityAcyclovirSoftwareMagnetic Resonance SpectroscopyCaco-2 CellsNucleosidesTechnology, PharmaceuticalStereoisomerismDatabases, PharmaceuticalOrganophosphonatesgamma-Glutamyl HydrolaseKineticsDatabases, ProteinEquipment DesignNeoplasmsChemistry Techniques, SyntheticDipeptidesSulfadimethoxineBoranesBiopharmaceuticsLipoxygenasesInformaticsEnzymesCell Line, TumorPeptidesBiological AvailabilityTrypanocidal AgentsHeterocyclic Compounds, 2-RingSulfamerazineSolubilityCrystallizationNuclear Magnetic Resonance, BiomolecularPhosphorous AcidsHIV ProteaseSequence Homology, Amino AcidPhosphoramide MustardsHIV Integrase InhibitorsNitroreductasesUser-Computer InterfaceCarboxylesteraseHigh-Throughput Screening AssaysHydrophobic and Hydrophilic InteractionsAdministration, OralCatalysisOligopeptidesProtein Interaction Domains and MotifsSequence AlignmentCarboxylic Ester HydrolasesAmino AcidsAdenine