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Computational design of ligand binding is not a solved problem

Computational design of ligand binding is not a solved problem

http://www.wikidata.org/entity/Q27657795

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A Conserved Mechanism of GABA Binding and Antagonism Is Revealed by Structure-Function Analysis of the Periplasmic Binding Protein Atu2422 in Agrobacterium tumefaciens Computational design of an endo-1,4- -xylanase ligand binding site Computational design of ligand-binding proteins with high affinity and selectivity X-ray crystallographic validation of structure predictions used in computational design for protein stabilization Thermodynamic additivity of sequence variations: an algorithm for creating high affinity peptides without large libraries or structural information Programmable ligand detection system in plants through a synthetic signal transduction pathway Conformational diversity and computational enzyme design Solution NMR studies of periplasmic binding proteins and their interaction partners Binding pocket optimization by computational protein design.Improving computational protein design by using structure-derived sequence profile.Computational design of protein-small molecule interfaces.Insertion of a xylanase in xylose binding protein results in a xylose-stimulated xylanase.A growth- and bioluminescence-based bioreporter for the in vivo detection of novel biocatalysts.Rational design of a ligand-controlled protein conformational switch.Trastuzumab-Peptide interactions: mechanism and application in structure-based ligand design Energy functions in de novo protein design: current challenges and future prospects.Structure-switching biosensors: inspired by Nature.Converting a protein into a switch for biosensing and functional regulation.Survey of the year 2009: applications of isothermal titration calorimetry.Computational design of protein-ligand interfaces: potential in therapeutic development.Lessons about protein stability from in vitro selections.Design strategies of fluorescent biosensors based on biological macromolecular receptors.Reagentless fluorescent biosensors based on proteins for continuous monitoring systems.Crosstalk between endogenous and synthetic components--synthetic signaling meets endogenous components.Computational enzyme design.Reporter-based screening and selection of enzymes.Computational design gains momentum in enzyme catalysis engineering.Computational Enzyme Design: Advances, hurdles and possible ways forward Design of catalytically amplified sensors for small molecules Complete alanine scanning of the Escherichia coli RbsB ribose binding protein reveals residues important for chemoreceptor signaling and periplasmic abundance Synthetic Protein Switches: Theoretical and Experimental Considerations.A new role for Escherichia coli DsbC protein in protection against oxidative stress On the molecular basis of the high affinity binding of basic amino acids to LAOBP, a periplasmic binding protein from Salmonella typhimurium.Osmolyte-Like Stabilizing Effects of Low GdnHCl Concentrations on d-Glucose/d-Galactose-Binding Protein.Escherichia [corrected] coli ribose binding protein based bioreporters revisited.The R117A variant of the Escherichia coli transacylase FabD synthesizes novel acyl-(acyl carrier proteins).Redesign of LAOBP to bind novel L-amino acid ligands.Computational design of enzyme-ligand binding using a combined energy function and deterministic sequence optimization algorithm.Structural biology: A toolbox for protein design.Protein:Ligand binding free energies: A stringent test for computational protein design

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P2860

Computational design of ligand binding is not a solved problem

http://www.wikidata.org/entity/Q27657795

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2009 nî lūn-bûn

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2009 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած

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2009年の論文

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Computational design of ligand binding is not a solved problem

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Computational design of ligand binding is not a solved problem

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Computational design of ligand binding is not a solved problem

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Computational design of ligand binding is not a solved problem

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Computational design of ligand binding is not a solved problem

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Proceedings of the National Academy of Sciences of the United States of America

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Computational design of ligand binding is not a solved problem

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Bettina Schreier

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Christian Stumpp

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P2860

Design of a Novel Globular Protein Fold with Atomic-Level Accuracy

De novo computational design of retro-aldol enzymes

Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution

Design of protein-ligand binding based on the molecular-mechanics energy model

MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

Kemp elimination catalysts by computational enzyme design

Ligand-induced conformational changes in a thermophilic ribose-binding protein

Substrate specificity and affinity of a protein modulated by bound water molecules

Sugar and signal-transducer binding sites of the Escherichia coli galactose chemoreceptor protein

Multiple open forms of ribose-binding protein trace the path of its conformational change

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10.1073/PNAS.0907950106

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19833875

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