(Q43932168)

28 November 2017

Transition state docking: a probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis (English)

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28 November 2017

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28 November 2017

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K N Houk

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28 November 2017

1 January 2002

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Journal of Computational Chemistry

28 November 2017

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28 November 2017

23

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28 November 2017

84-95

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28 November 2017

1

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Automated docking of flexible ligands: applications of AutoDock

28 November 2017

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Automated docking of substrates to proteins by simulated annealing

21 January 2018

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Predicting molecular interactions and inducible complementarity: fragment docking of Fab-peptide complexes.

21 January 2018

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Binding Energy and Catalysis: The Implications for Transition-State Analogs and Catalytic Antibodies.

21 January 2018

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Catalytic antibodies--reaching adolescence?

21 January 2018

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From molecular diversity to catalysis: lessons from the immune system

21 January 2018

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At the crossroads of chemistry and immunology: catalytic antibodies

21 January 2018

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Hydrolytic antibodies: variations on a theme

21 January 2018

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21 January 2018

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Canonical binding arrays as molecular recognition elements in the immune system: tetrahedral anions and the ester hydrolysis transition state

21 January 2018

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A genetic approach to the generation of antibodies with enhanced catalytic activities

21 January 2018

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The immunological evolution of catalysis

21 January 2018

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Structural insights into the evolution of an antibody combining site

21 January 2018

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Crystal structures of the free and liganded form of an esterolytic catalytic antibody

21 January 2018

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Differences in the biochemical properties of esterolytic antibodies correlate with structural diversity.

21 January 2018

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Crystal structure of a catalytic antibody Fab with esterase-like activity

21 January 2018

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Mechanism of inactivation of a catalytic antibody by p-nitrophenyl esters.

21 January 2018

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Crystal structure of a catalytic antibody with a serine protease active site

21 January 2018

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Mechanistically different catalytic antibodies obtained from immunization with a single transition-state analog

21 January 2018

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Phage display of a catalytic antibody to optimize affinity for transition-state analog binding

21 January 2018

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A comparison of the crystallographic structures of two catalytic antibodies with esterase activity

21 January 2018

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Mechanistic studies of a tyrosine-dependent catalytic antibody

21 January 2018

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Structural basis for amide hydrolysis catalyzed by the 43C9 antibody

21 January 2018

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Induction of an Antibody That Catalyzes the Hydrolysis of an Amide Bond

21 January 2018

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Expanding the 43C9 class of catalytic antibodies using a chain-shuffling approach

21 January 2018

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Expression and characterization of recombinant single-chain Fv and Fv fragments derived from a set of catalytic antibodies

21 January 2018

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Structural convergence in the active sites of a family of catalytic antibodies

21 January 2018

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X-ray structures of a hydrolytic antibody and of complexes elucidate catalytic pathway from substrate binding and transition state stabilization through water attack and product release

21 January 2018

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A common ancestry for multiple catalytic antibodies generated against a single transition-state analog.

21 January 2018

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A structural basis for transition-state stabilization in antibody-catalyzed hydrolysis: crystal structures of an abzyme at 1. 8 A resolution.

21 January 2018

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Diverse structural solutions to catalysis in a family of antibodies

21 January 2018

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Fidelity in Hapten Design: How Analogous Are Phosphonate Haptens to the Transition States for Alkaline Hydrolyses of Aryl Esters?

21 January 2018

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Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

21 January 2018

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Functional characteristics of the oxyanion hole in human acetylcholinesterase

21 January 2018

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Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

21 January 2018

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Correlation between Antigen-Combining-Site Structures and Functions within a Panel of Catalytic Antibodies Generated against a Single Transition State Analog

21 January 2018

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Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

21 January 2018

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Heteroligation of a mouse monoclonal IgE antibody (La2) with small molecules, analysed by computer-aided automated docking

21 January 2018

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Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4

21 January 2018

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Isoabzymes: structurally and mechanistically similar catalytic antibodies from the same immunization

21 January 2018

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The enzymic nature of antibody catalysis: development of multistep kinetic processing

21 January 2018

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Catalytic antibody model and mutagenesis implicate arginine in transition-state stabilization

21 January 2018

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Site-directed mutagenesis of active site contact residues in a hydrolytic abzyme: evidence for an essential histidine involved in transition state stabilization

21 January 2018

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Details of the acyl-enzyme intermediate and the oxyanion hole in serine protease catalysis

21 January 2018

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Hydrogen Bonding, Hydrophobic Interactions, and Failure of the Rigid Receptor Hypothesis

21 January 2018

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21 January 2018

Identifiers

DOI

10.1002/JCC.10019

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28 November 2017

journals/jcc/TantilloH02

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DBLP Dataset 2021-01-02

28 January 2021

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PubMed ID

11913392