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Volumn 2, Issue 1, 2007, Pages 78-87

Simulating α/β selectivity at the human thyroid hormone receptor: Consensus scoring using multidimensional QSAR

Author keywords

Consensus scoring; Flexible docking; Multidimensional QSAR; Structure activity relationships; Thyroid receptor

Indexed keywords

THYROID HORMONE RECEPTOR ALPHA; THYROID HORMONE RECEPTOR BETA;

EID: 34249931009     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200600212     Document Type: Article
Times cited : (33)

References (46)
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    • MSc Thesis, Universityof Basel, Switzerland
    • b) M. Zumstein, MSc Thesis, Universityof Basel, Switzerland, 2005.
    • (2005)
    • Zumstein, M.1
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    • Relative to the lowest-energybinding mode of each compound
    • Relative to the lowest-energybinding mode of each compound.
  • 45
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    • For the thyroid receptor β, those amino acid residues correspond to Arg 282, Arg 316, Phe269, Phe272, Met442, and Phe 445, respectively.
    • For the thyroid receptor β, those amino acid residues correspond to Arg 282, Arg 316, Phe269, Phe272, Met442, and Phe 445, respectively.
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    • In principle, these simulations should be run with all six available induced-fit scenarios (field-minimized, linear, or based on the steric, electrostatic, hydrogen-bond or lipophilic potential). For fairness, we used the induced-fit scenario based on the lipophilic potential, which emerged from the simulation at the 6D-QSAR level.
    • In principle, these simulations should be run with all six available induced-fit scenarios (field-minimized, linear, or based on the steric, electrostatic, hydrogen-bond or lipophilic potential). For fairness, we used the induced-fit scenario based on the lipophilic potential, which emerged from the simulation at the 6D-QSAR level.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.