Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis - Wikidata - awgldk - TriplyDB

Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

http://www.wikidata.org/entity/Q27671312

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Intrinsic evolutionary constraints on protease structure, enzyme acylation, and the identity of the catalytic triad Catalytic efficiency of designed catalytic proteins Exploration of Alternate Catalytic Mechanisms and Optimization Strategies for Retroaldolase Design Design of activated serine–containing catalytic triads with atomic-level accuracy Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates Installing hydrolytic activity into a completely de novo protein framework Improvements to robotics-inspired conformational sampling in rosetta Forcefield_NCAA: ab initio charge parameters to aid in the discovery and design of therapeutic proteins and peptides with unnatural amino acids and their application to complement inhibitors of the compstatin family.OptZyme: computational enzyme redesign using transition state analogues Use of an Improved Matching Algorithm to Select Scaffolds for Enzyme Design Based on a Complex Active Site Model Functional tuning of the catalytic residue pKa in a de novo designed esterase.Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction A highly efficient cocaine-detoxifying enzyme obtained by computational design.Emerging themes in the computational design of novel enzymes and protein-protein interfaces.Computational enzyme design.Computational design gains momentum in enzyme catalysis engineering.Peptides for immunological purposes: design, strategies and applications.Recent advances in rational approaches for enzyme engineering.Recent advances in engineering proteins for biocatalysis.AbDesign: An algorithm for combinatorial backbone design guided by natural conformations and sequences.Principles for designing proteins with cavities formed by curved β sheets.Systematic optimization model and algorithm for binding sequence selection in computational enzyme design.The Iterative Protein Redesign and Optimization (IPRO) suite of programs.Rational design of substrate binding pockets in polyphosphate kinase for use in cost-effective ATP-dependent cascade reactions.Computational design of cephradine synthase in a new scaffold identified from structural databases.Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code.A de novo enzyme catalyzes a life-sustaining reaction in Escherichia coli.Computational design of variants for cephalosporin C acylase from Pseudomonas strain N176 with improved stability and activity.A fast loop-closure algorithm to accelerate residue matching in computational enzyme design.Computational design of enzyme-ligand binding using a combined energy function and deterministic sequence optimization algorithm.The solution of nitrogen inversion in amidases.Challenges in computational organic chemistry RETRACTED: Molecular Cloning and Docking of Gene Encoding Cysteine Protease With Antibiotic Interaction in NBMKU12 From the Clinical Isolates

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P2860

Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

http://www.wikidata.org/entity/Q27671312

description

2012 nî lūn-bûn

@nan

2012 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած

@hyw

2012 թվականի հոտեմբերին հրատարակված գիտական հոդված

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2012年の論文

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2012年論文

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2012年論文

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2012年論文

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2012年論文

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2012年論文

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2012年论文

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Journal of the American Chemical Society

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

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Adam J T Smith

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Alexandre P Kuzin

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Alexej Grjasnow

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Donald Hilvert

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Florian Richter

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Gert Kiss

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Gregory J Kornhaber

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Jasmine Gallaher

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John F Hunt

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Min Su

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P2860

De novo computational design of retro-aldol enzymes

Site-directed mutagenesis and the role of the oxyanion hole in subtilisin

Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations

Specific recognition of saturated and 4,5-unsaturated hexuronate sugars by a periplasmic binding protein involved in pectin catabolism

Kemp elimination catalysts by computational enzyme design

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

Crystal structure of the complex of a catalytic antibody Fab fragment with a transition state analog: structural similarities in esterase-like catalytic antibodies

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

Dipeptidyl peptidase IV and related enzymes in cell biology and liver disorders

De novo enzyme design using Rosetta3

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16197-206

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scholarly article

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1162273

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10.1021/JA3037367

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39

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134

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Jayaraman Seetharaman

Farhad Forouhar

Gaetano T. Montelione

Zbigniew L. Pianowski

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2012-10-03T00:00:00Z

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230631731

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22871159

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4104585

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