All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission System of respective journal.


Investigations of nanodimers with different ring faces in contact by molecular dynamics

Author(s): Jie Cheng, Jingchuan Zhu

Four nanodimers of cyclo-[(1R, 3S)-ã-Acc-D-Phe]3 in contactwith different ring faces as their termini in solvent CHCl3 with 300, 150 and 49 molecules are modeled to investigate the two faces of cyclic peptide ring through 8 ns molecular dynamics (MD) based on Dreiding force field. The radius of monomer rings, terminal and internal sizes of dimer tubes and distances between two neighboring ring faces are analyzed. Simulation results show that the spacing in á-á dimers (dimer-II and -IV) is larger than that in ã-ã dimers (dimer-I and -III), and for dimer-IV, the timeCHCl3 needs to enter into its cavity is the shortest, which indicates that the channel with ã-NCH3 termini (dimer-IV) is a good candidate carrier to absorpt CHCl3.

Share this       

Recommended Conferences

izmir escort izmir escort bursa escort antalya escort izmir escort porno porno izle türk porno eskişehir escort bartın escort burdur escort havalandırma izmir escort bursa escort porno indir izle escort izmir