BROOKS B R,BRUCCOLERI R E,OLAFSON B D.CHARMM: A program for macromolecular energy, minimization, and dynamics calculations[J].Comput Chem,1983,4(2):187-217.
[2]
KALE L,SKEEL R,BHANDARKAR M,et al.NAMD2: Greater scalability for parallel molecular dynamics[J].J Comput Phys,1999,151(1):283-312.
[3]
HUMPHREY W,DALKE A,SCHULTEN K J.VMD-visual molecular dynamices[J].J Molec Graphics,1996,14(1):33-38.
[4]
CHENG Jie,SHAN Song-bo,WENG Lian-jin.Molecular dynamics investigation of nanotube diameter and wall thickness of cyclic hexa-, octa-, deca- and dodeca-peptide[J].Journal of Computational and Theoretical Nanoscience,2013,10(6):1335-1337.
[5]
GHADIRI M R,KOBAYASHI K,GRANJA J R.The structural and thermodynamic basis for the formation of self-assembled peptide nanotubes[J].Angewandte Chemie International Edition,1995,34(1):93-95.
[6]
GRANJA J R,GHADIRI M R.Channel-mediated transport of glucose across lipid bilayers[J].Journal of the American Chemical Society,1994,116(23):10785-10786.
[7]
de GROOT B L,Grubmüller H.Water permeation across biological membranes: Mechanism and dynamics of aquaporin-1 and GlpF[J].Science,2001,294(5550):2353-2357.
[8]
HWANG H,SCHATZ G C,RATNER M A.Steered molecular dynamics studies of the potential of mean force of a Na+ or K+ ion in a cyclic peptide nanotube[J].Journal of Physical Chemistry B,2006,110(51):26448-26460.
[9]
CHENG Jie,ZHU Jing-chuan,LIU Bo.Molecular modeling investigation of adsorption of self-assembled peptide nanotube of cyclo-[(1R,3S)-γ-Acc-α-Phe]3 in CHCl3[J].Chemical Physics,2007,333(2/3):105-111.
[10]
GHADIRI M R,GRANJA J R,BUEHLER L K.Artificial transmembrane ion channels from self-assembling peptide nanotubes[J].1994,369(6478):301-304.
[11]
刘健.环肽纳米管作为跨膜水通道[D].苏州:苏州大学,2011:301-304.
[12]
VIJAYARAJ R,DAMME S V,BULTINCK P,et al.Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes[J].Phys Chem Chem Phys,2013,15(4):1260-1270.
[13]
GHADIRI M R,GRANJA J R,MILLIGAN R A,et al.Self-assembling organic nanotubes based on a cyclic peptide architecture[J].Nature,1993,366(6453):324-325.
[14]
AMORíN M,GARCíA-FANDI？O R,GRANJA R.Transmembrane ion transport by self-assembling α, γ-peptide nanotubes[J].Chem Sci,2012,3(11):3280-3285.
[15]
KIM H S,HARTGERINK J D,GHADIRI M R.Oriented self-assembly of cyclic peptide nanotubes in lipid memembranes[J].Journal of the American Chemical Society,1998,120(35):4417-4424.
[16]
CHENG Jie,ZHU Jing-chuan,LIU Bo.Investigation of structures and properties of cyclic peptide nanotubes by experiment and molecular dynamics[J].J Comput Aided Mol Des,2008,22(11):773-781.
[17]
CHENG Jie,ZHU Jing-chuan,LIU Bo.Structure of a self-assembled single nanotube of cyclo[(-D-Ala-L-Ala)4-][J].Molecular Simulation,2009,35(8):625-630.
[18]
BURIAK J M,GHADIRI J R.Self-assembly of peptide based nanotubes[J].Materials Science and Engineering C,1997,4(4):207-212.
[19]
SAPAY N,TIELEMAN P D.Combination of the CHARMM27 force field with united-atom lipid force fields[J].Journal of Computational Chemistry,2011,32(7):1400-1410.
[20]
TAKAHASHI R,WANG H,LEWIS J P.Electronic structures and conductivity in peptide nanotubes[J].J Phys Chem B,2007,111(30):9093-9098.
[21]
QU Wen-wen,TAN Hong-wei,CHEN Guang-ju.The self-assembled of cyclic D, L-α-peptide systems: Insights into the structure and energetics[J].International Journal of Quantum Chemistry,2010,110(9):1648-1659.
[22]
ROSENTHAL-AIZMAN K,SVENSSON G,UNDéN A.Self-Assembling peptide nanotubes from enantiomeric pairs of cyclic peptides with alternating D and L amino acid residues[J].American Chemical Society,2004,126(11):3372-3373.
