The 3D structures of G-Quadruplexes of HIV-1 integrase inhibitors: molecular dynamics simulations in aqueous solution and in the gas phase
β Scribed by Ming-Hui Li; Yi-Han Zhou; Quan Luo; Ze-Sheng Li
- Publisher
- Springer-Verlag
- Year
- 2009
- Tongue
- English
- Weight
- 1005 KB
- Volume
- 16
- Category
- Article
- ISSN
- 1610-2940
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Structural and dynamical properties of the Cr(III) ion in aqueous solution have been investigated using a combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation. The hydration structure of Cr(III) was determined in terms of radial distributi
## Abstract A hybrid __ab initio__ QM/MM molecular dynamics simulation at the HartreeβFock level has been performed to investigate structural and dynamical parameters of the V^3+^ ion in dilute aqueous solution. A distorted octahedral structure with the average V^3+^βO distance of 1.99 Γ is evaluat
## Abstract SL1 is a stemβloop RNA sequence from the genome of HIVβ1 thought to be the initiation site for the dimerization of the retroviral genomic RNA. The aim of this study is to check the stability in solution of different experimental dimeric structures available in the literature. Two kinds