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Target flexibility: an emerging consideration in drug discovery and design.

Target flexibility: an emerging consideration in drug discovery and design.

http://www.wikidata.org/entity/Q37240137

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Intrinsically disordered proteins are potential drug targets Dynamics, flexibility and ligand-induced conformational changes in biological macromolecules: a computational approach Protein flexibility in docking and surface mapping Computational methods in drug discovery Structure-based virtual screening for drug discovery: a problem-centric review Protein Flexibility and Conformational Entropy in Ligand Design Targeting the Carbohydrate Recognition Domain of Galectin-3 Using Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1 Benzimidazole inhibitors of the protein kinase CHK2: Clarification of the binding mode by flexible side chain docking and protein–ligand crystallography Applying an empirical hydropathic forcefield in refinement may improve low-resolution protein X-ray crystal structures Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors Flexibility of PCNA-protein interface accommodates differential binding partners Software and resources for computational medicinal chemistry Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design Mastering the canonical loop of serine protease inhibitors: enhancing potency by optimising the internal hydrogen bond network Approximating protein flexibility through dynamic pharmacophore models: application to fatty acid amide hydrolase (FAAH)Modelling three-dimensional protein structures for applications in drug design.Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric series Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking.Molecular docking screens using comparative models of proteins Association of a common TLR-6 polymorphism with coronary artery disease - implications for healthy ageing?Thermal motions of the E. coli glucose-galactose binding protein studied using well-sampled, semi-atomistic simulations.Probing protein flexibility reveals a mechanism for selective promiscuity.Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.Mining flexible-receptor docking experiments to select promising protein receptor snapshots.FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection.Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations.Advances and challenges in protein-ligand docking Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.ReFlexIn: a flexible receptor protein-ligand docking scheme evaluated on HIV-1 protease Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.Polyphony: superposition independent methods for ensemble-based drug discovery.Predicting the accuracy of protein-ligand docking on homology models.Significant enhancement of docking sensitivity using implicit ligand sampling.Molecular recognition in the case of flexible targets.Ligand similarity guided receptor selection enhances docking accuracy and recall for non-nucleoside HIV reverse transcriptase inhibitors.Addressing the Conformational Flexibility of Serine Racemase by Combining Targeted Molecular Dynamics, Conformational Sampling and Docking Studies.Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach.Pocket-based drug design: exploring pocket space Assessing the chemical accuracy of protein structures via peptide acidity.

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Target flexibility: an emerging consideration in drug discovery and design.

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article científic

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article scientifique

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articolo scientifico

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artigo científico

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bilimsel makale

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scientific article published on 12 September 2008

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vedecký článok

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vetenskaplig artikel

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videnskabelig artikel

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vědecký článek

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name

Target flexibility: an emerging consideration in drug discovery and design.

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Target flexibility: an emerging consideration in drug discovery and design.

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Target flexibility: an emerging consideration in drug discovery and design.

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Target flexibility: an emerging consideration in drug discovery and design.

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Target flexibility: an emerging consideration in drug discovery and design.

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Target flexibility: an emerging consideration in drug discovery and design.

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Journal of Medicinal Chemistry

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Target flexibility: an emerging consideration in drug discovery and design.

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Andrew Emerson

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Christoph A Sotriffer

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Donald J Abraham

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Gabriele Costantino

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Holger Gohlke

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Leslie A Kuhn

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Menico Rizzi

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Modesto Orozco

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Pietro Cozzini

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Thelma A Pertinhez

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P2860

A Three-Dimensional Model of the Myoglobin Molecule Obtained by X-Ray Analysis

The Protein Data Bank

Flexible ligand docking to multiple receptor conformations: a practical alternative

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

Crystal structure of a photoactivated deprotonated intermediate of rhodopsin

A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase

Binding of small molecules to an adaptive protein-protein interface

A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR

Structural basis for bile acid binding and activation of the nuclear receptor FXR

Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme

P304

6237-6255

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scholarly article

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10.1021/JM800562D

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P433

20

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51

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Garrett M. Morris

Glen E. Kellogg

Francesca Spyrakis

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2008-09-12T00:00:00Z

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231563405

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18785728

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2701403

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