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Volumn 57, Issue 1, 2004, Pages 87-96

Molecular modelling and design of radiolabelled complexes for melanoma diagnosis

Author keywords

[No Author keywords available]

Indexed keywords

DIAGNOSIS; DRUG PRODUCTS; POSITRON EMISSION TOMOGRAPHY; SKIN; TUMORS;

EID: 1142293203     PISSN: 00049425     EISSN: None     Source Type: Journal    
DOI: 10.1071/CH03165     Document Type: Article
Times cited : (2)

References (64)
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    • Locardi, E.1    Mullen, D.G.2    Mattern, R.H.3    Goodman, M.4
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    • note
    • In test calculations we used different starting geometries, different step sizes for the Cartesian coordinate deformations, and different numbers of trial structures. From these studies we determined that the parameters used in this work comprehensively sampled all relevant conformations.
  • 39
    • 1142284523 scopus 로고    scopus 로고
    • note
    • The enantiomeric flipping is an artefact of the software. Although we have found the structures from the MM3 force field to be generally more reliable than those from the Sybyl force field, the enantiomeric flipping is certainly a disadvantage of the approach used here and in future work we will continue to critically evaluate which method to use for a particular problem.
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    • 1142308796 scopus 로고    scopus 로고
    • (Tripos Association: St. Louis, MO)
    • Sybyl ver. 6.7 2000 (Tripos Association: St. Louis, MO).
    • (2000) Sybyl Ver. 6.7
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    • 1142296573 scopus 로고    scopus 로고
    • note
    • 50 values may not be strictly comparable.
  • 50
    • 1142308802 scopus 로고    scopus 로고
    • (University of Tasmania: Hobart)
    • C. T. T. Tuttle, Honours Thesis 2001 (University of Tasmania: Hobart).
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    • Tuttle, C.T.T.1
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    • note
    • 3 QSAR.
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    • 1142296571 scopus 로고    scopus 로고
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    • note
    • It is unlikely that all the low-energy conformers of a molecule will be similar.
  • 55
    • 1142272400 scopus 로고    scopus 로고
    • note
    • 3 activity for each compound in the low-energy window of conformers for the novel molecules. This shows that compound UTA1d has the conformer with the greatest activity and also the best selectivity, which is in agreement with the results obtained with the average predicted activities.
  • 64
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    • note
    • A referee has suggested that radiolabels in the ortho or meta positions could actually enhance the selectivity.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.