Structure and stability of (alpha-CD)3 aggregate and OEG@(alpha-CD)3 pseudorotaxane in aqueous solution: a molecular dynamics study.

Anconi, Cleber P A; Nascimento, Clebio S; De Almeida, Wagner B; Dos Santos, Hélio F

Anconi, Cleber P A; Nascimento, Clebio S; De Almeida, Wagner B; Dos Santos, Hélio F.

Affiliation

Anconi CP; Nucleo de Estudos em Química Computacional (NEQC), Departamento de Química, ICE, Universidade Federal de Juiz de Fora (UFJF), Campus Universitario, Martelos, Juiz de Fora, MG 36036-330, Brazil. cleber@netuno.qui.ufmg.br

J Phys Chem B ; 113(29): 9762-9, 2009 Jul 23.

Article in En | MEDLINE | ID: mdl-19603839

Subject(s)

Computer Simulation; Ethylene Glycols/chemistry; Models, Chemical; Rotaxanes/chemistry; alpha-Cyclodextrins/chemistry; Carbohydrate Conformation; Solutions; Thermodynamics; Water/chemistry

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Computer Simulation / Rotaxanes / Alpha-Cyclodextrins / Ethylene Glycols / Models, Chemical Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2009 Document type: Article Affiliation country: Brazil Country of publication: United States

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google