Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding - Wikidata - awgldk - TriplyDB

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding

http://www.wikidata.org/entity/Q35612259

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Computational analysis of phosphopeptide binding to the polo-box domain of the mitotic kinase PLK1 using molecular dynamics simulation Rational approaches to improving selectivity in drug design Thermodynamics and solvent linkage of macromolecule-ligand interactions Origin of Heat Capacity Changes in a “Nonclassical” Hydrophobic Interaction Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors Mechanisms underlying dioxygen reduction in laccases. Structural and modelling studies focusing on proton transfer.Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the “Hydrophobic Wall” of Carbonic Anhydrase Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase The Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water Dynamics Structural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6 Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin An antifreeze protein folds with an interior network of more than 400 semi-clathrate waters Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10 Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis Current status and future prospects for enabling chemistry technology in the drug discovery process Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril Quantifying the entropy of binding for water molecules in protein cavities by computing correlations Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation Computational fragment-based binding site identification by ligand competitive saturation Ligand binding to protein-binding pockets with wet and dry regions Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2 Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl Prediction of the water content in protein binding sites Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.Using quantum mechanical approaches to study biological systems Parameterization of an effective potential for protein-ligand binding from host-guest affinity data.Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes.A dry ligand-binding cavity in a solvated protein.Sequence-specific positions of water molecules at the interface between DNA and minor groove binders.Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques.BINANA: a novel algorithm for ligand-binding characterization Discovering small-molecule estrogen receptor α/coactivator binding inhibitors: high-throughput screening, ligand development, and models for enhanced potency.Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa.Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteases.Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease.

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P2860

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding

http://www.wikidata.org/entity/Q35612259

description

2007 nî lūn-bûn

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2007年の論文

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2007年論文

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2007年論文

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2007年論文

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2007年論文

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2007年論文

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2007年论文

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2007年论文

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2007年论文

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name

Motifs for molecular recogniti ...... sure in protein-ligand binding

@ast

Motifs for molecular recogniti ...... sure in protein-ligand binding

@en

type

label

Motifs for molecular recogniti ...... sure in protein-ligand binding

@ast

Motifs for molecular recogniti ...... sure in protein-ligand binding

@en

prefLabel

Motifs for molecular recogniti ...... sure in protein-ligand binding

@ast

Motifs for molecular recogniti ...... sure in protein-ligand binding

@en

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PNAS.0610202104

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

P1476

Motifs for molecular recogniti ...... sure in protein-ligand binding

@en

P2093

Bruce J Berne

http://www.w3.org/2001/XMLSchema#string

Byungchan Kim

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Richard A Friesner

http://www.w3.org/2001/XMLSchema#string

Robert Abel

http://www.w3.org/2001/XMLSchema#string

Tom Young

http://www.w3.org/2001/XMLSchema#string

P2860

Comparison of simple potential functions for simulating liquid water

Structural insights into the stereochemistry of the cyclooxygenase reaction

Molecular basis of crossreactivity and the limits of antibody-antigen complementarity

Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

Drying-induced hydrophobic polymer collapse.

On the calculation of absolute macromolecular binding free energies

Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation.

Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system

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808-813

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scholarly article

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10.1073/PNAS.0610202104

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3

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104

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