Simulating alpha/beta selectivity at the human thyroid hormone receptor: consensus scoring using multidimensional QSAR (Q79346183)

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21 December 2019

title

Simulating alpha/beta selectivity at the human thyroid hormone receptor: consensus scoring using multidimensional QSAR (English)

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21 December 2019

Angelo Vedani

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21 December 2019

Martin Zumstein

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21 December 2019

Markus A Lill

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21 December 2019

Beat Ernst

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21 December 2019

publication date

1 January 2007

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21 December 2019

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volume

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issue

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21 December 2019

page(s)

78-87

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Developmental effects of endocrine-disrupting chemicals in wildlife and humans

21 December 2019

cites work

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Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1

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Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor.

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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system.

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5D-QSAR: the key for simulating induced fit?

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Novel ligands for the chemokine receptor-3 (CCR3): a receptor-modeling study based on 5D-QSAR.

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Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals

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7 January 2021

Prediction of small-molecule binding to cytochrome P450 3A4: flexible docking combined with multidimensional QSAR

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Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor.

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Raptor: combining dual-shell representation, induced-fit simulation, and hydrophobicity scoring in receptor modeling: application toward the simulation of structurally diverse ligand sets

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7 January 2021

Combining 4D pharmacophore generation and multidimensional QSAR: modeling ligand binding to the bradykinin B2 receptor

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7 January 2021

AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution

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7 January 2021

Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta

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7 January 2021

Discovery of a novel series of 6-azauracil-based thyroid hormone receptor ligands: potent, TR beta subtype-selective thyromimetics

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7 January 2021

The power issue: determination of KB or Ki from IC50. A closer look at the Cheng-Prusoff equation, the Schild plot and related power equations.

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7 January 2021

Identifiers

DOI

10.1002/CMDC.200600212

1 reference

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21 December 2019

1 reference

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