Jan 25, 2008 - NANO EXPRESS. Molecular Dynamics Simulation of Nanoindentation-induced .... 518,400 silicon atoms with covalent bonds. We simulated.
Jan 25, 2008 - NANO EXPRESS. Molecular Dynamics Simulation of Nanoindentation-induced .... 518,400 silicon atoms with covalent bonds. We simulated.
Mar 17, 2015 - bonding using MD simulation. In addition, MD simulation has revealed the dynamic changes of CycT1 local structure. Materials and Methods.
May 19, 2014 - forms. The closed form is dominant in the Pol II-free (unbound) state of TFIIS, whereas the open form is favorable in the Pol .... conversion, we preserved the protonation states of residues to be ..... (TIFF). Figure S3 Coarse-grained
May 29, 2015 - electrophoresis by characterizing the molecular micelle binding of chiral .... identify key factors affecting chiral recognition in CE. Finally .... atenolol or propranolol, twenty Na+ ions, and from 8360 to 8689 TIP3P water residues.
In our molecular dynamics simulations on modified TFL1 proteins, a hydrogen bond present in ... we performed molecular dynamics simulation studies on.
Jul 10, 2009 - lations built with Python which facilitates prototyping, testing, and debugging of .... framework is available open source at http://mdlab.sourceforge.net. ... set up an MDL simulation protocol, which through the MDL API sets up a.
Published: 31 March 2014 .... molecular dynamics (TMD) simulations in order to explore the conformational .... determined by TMD from O-Mad2 to C-Mad2. 2.3.
23 Jan 2014 - Key Laboratory of Theoretical and Computational Photochemistry, Ministry ... College of Chemistry, Beijing Normal University, Beijing, China .... Molecular dynamics simulations and free energy ...... (PDF). Text S1 Molecular dynamics si
perspective. It is shown that carbon nanotube patterns with small radii tend to form close-capped ... atoms.7 The simulation results revealed that pentagonal.
Oct 16, 2015 - 0.05 m/s. 0.30 m/s. 1.00 m/s. 3.00 m/s. 10.0 m/s. 30.0 m/s. Quasistatic a: DPPC/CHOL b: Pure DPPC. Figure 2. Lipid chain order parameter â.
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received: 23 June 2015 accepted: 24 September 2015 Published: 16 October 2015
Effects of Stretching Speed on Mechanical Rupture of Phospholipid/Cholesterol Bilayers: Molecular Dynamics Simulation Taiki Shigematsu, Kenichiro Koshiyama & Shigeo Wada Rupture of biological cell membrane under mechanical stresses is critical for cell viability. It is triggered by local rearrangements of membrane molecules. We investigated the effects of stretching speed on mechanical rupture of phospholipid/cholesterol bilayers using unsteady molecular dynamics simulations. We focused on pore formation, the trigger of rupture, in a 40 mol% cholesterol-including bilayer. The unsteady stretching was modeled by proportional and temporal scaling of atom positions at stretching speeds from 0.025 to 30 m/s. The effects of the stretching speed on the critical areal strain, where the pore forms, is composed of two regimes. At low speeds (
