Search results for "Catalytic antibody"

showing 2 items of 2 documents

Theoretical Study of Catalytic Efficiency of a Diels–Alderase Catalytic Antibody: An Indirect Effect Produced During the Maturation Process

2007

The Diels–Alder reaction is one of the most important and versatile transformations available to organic chemists for the construction of complex natural products, therapeutics agents, and synthetic materials. Given the lack of efficient enzymes capable of catalyzing this kind of reaction, it is of interest to ask whether a biological catalyst could be designed from an antibody-combining site. In the present work, a theoretical study of the different behavior of a germline catalytic antibody (CA) and its matured form, 39 A-11, that catalyze a Diels–Alder reaction has been carried out. A free-energy perturbation technique based on a hybrid quantum-mechanics/molecular-mechanics scheme, togeth…

Models MolecularWork (thermodynamics)StereochemistryAntibodies CatalyticCatalytic antibodyCrystallography X-RayCatalysisCatalysisenergy calculationsDiels–Alder reactionsantibodiesComputer SimulationMaturation processquantum mechanics/molecular mechanicsGerm-Line Mutationmutatgenesischemistry.chemical_classificationMolecular StructureInternal energyChemistryOrganic ChemistrySubstrate (chemistry)General ChemistryCombinatorial chemistryIndirect effectEnzymeAmino Acid SubstitutionModels ChemicalQuantum TheoryChemistry - A European Journal
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Computer-Aided Rational Design of Catalytic Antibodies: The 1F7 Case.

2007

chemistry.chemical_classificationEngineering drawingCyclohexanecarboxylic AcidsMolecular StructureRotationbiologyStereochemistryChemistryChorismic AcidRational designAntibodies CatalyticStereoisomerismCatalytic antibodyGeneral ChemistryGeneral MedicineCatalysisCatalysisStructure-Activity RelationshipEnzymeCyclohexenesbiology.proteinComputer-aidedComputer SimulationAntibodyChemInform
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