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Volumn 114, Issue 21, 2010, Pages 7133-7139

A molecular dynamics study of the inclusion complexes of C60 with some cyclodextrins

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; STOICHIOMETRY; SYSTEM STABILITY;

EID: 77952928090     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp911812j     Document Type: Article
Times cited : (36)

References (15)
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    • Medicinal chemistry with fullerenes and fullerene derivatives
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    • The water-soluble γ-cyclodextrin-(60)fullerene complex
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    • (2001) Chem. Commun. , pp. 1194-1195
    • Murthy, C.N.1    Geckeler, K.E.2
  • 8
    • 67650045767 scopus 로고    scopus 로고
    • Validating a strategy for molecular dynamics simulations of cyclodextrin inclusion complexes through single-crystal X-ray and NMR experimental data: A case study
    • Raffaini, G.; Ganazzoli, F.; Malpezzi, L.; Fuganti, C.; Fronza, G.; Panzeri, W.; Mele, A. Validating a strategy for molecular dynamics simulations of cyclodextrin inclusion complexes through single-crystal X-ray and NMR experimental data: a case study J. Phys. Chem. B 2009, 113, 9110-9122
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  • 9
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    • Molecular dynamics study of host-guest interactions in cyclodextrins: Methodology and data analysis for a comparison with solution data and the solid state structure
    • Raffaini, G.; Ganazzoli, F. Molecular dynamics study of host-guest interactions in cyclodextrins: methodology and data analysis for a comparison with solution data and the solid state structure J. Inclusion Phenom. Macrocyclic Chem. 2007, 57, 683-688
    • (2007) J. Inclusion Phenom. Macrocyclic Chem. , vol.57 , pp. 683-688
    • Raffaini, G.1    Ganazzoli, F.2
  • 10
    • 84906389889 scopus 로고    scopus 로고
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    • 0032985340 scopus 로고    scopus 로고
    • Structure and conformation of complex carbohydrates of glycoproteins, glycolipids and bacterial polysaccharides
    • Bush, C. A.; Martin-Pastor, M.; Imberty, A. Structure and conformation of complex carbohydrates of glycoproteins, glycolipids and bacterial polysaccharides Annu. Rev. Biophys. Biomol. Struct. 1999, 28, 269-293
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    • Bush, C.A.1    Martin-Pastor, M.2    Imberty, A.3
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    • Towards a better semiquantitative estimation of binding constants: Molecular dynamics exploration of the conformational behavior of isolated sialyllactose and sialyllactose complexed with influenza A hemagglutinin
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  • 14
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    • The use of CVFF and CFF91 force fields in conformational analysis of carbohydrate molecules. Comparison with AMBER molecular mechanics and dynamics calculations for methyl α-lactoside
    • Asensio, J. L.; Martin-Pastor, M.; Jimenez-Barbero, J. The use of CVFF and CFF91 force fields in conformational analysis of carbohydrate molecules. Comparison with AMBER molecular mechanics and dynamics calculations for methyl α-lactoside Int. J. Biol. Macromol. 1995, 17, 137-148
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.