Latest Molecular dynamics Stories

2008-08-22 03:00:15

By J, Pieter Stevens, Mark J ABSTRACT We perform atomistic simulations on a single collagen molecule to determine its intrinsic molecular strength. A tensile pull simulation to determine the tensile strength and Young's modulus is performed, and a simulation that separates two of the three helices of collagen examines the internal strength of the molecule. The magnitude of the calculated tensile forces is consistent with the strong forces of bond stretching and angle bending that are...

2008-08-22 03:00:15

By Haider, Shozeb Parkinson, Gary N; Neidle, Stephen ABSTRACT Guanine-rich DNA repeat sequences located at the terminal ends of chromosomal DNA can fold in a sequence-dependent manner into G-quadruplex structures, notably the terminal 150-200 nucleotides at the 3' end, which occur as a single-stranded DNA overhang. The crystal structures of quadruplexes with two and four human telomeric repeats show an all-parallel-stranded topology that is readily capable of forming extended stacks of such...

2008-08-22 03:00:15

By Knee, Kelly M Dixit, Surjit B; Aitken, Colin Echeverria; Ponomarev, Sergei; Beveridge, D L; Mukerji, Ishita ABSTRACT The A-to-B form transition has been examined in three DNA duplexes, d(CGCGAATTCGCG)^sub 2^, d(CGCGAATTGCGC), and d(CGCAAATTTCGC), using circular dichroism spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and molecular dynamics (MD) simulation. Circular dichroism spectra confirm that these molecules adopt the A form under conditions of reduced water activity....

2007-07-17 06:03:43

By Otter, W K den Shkulipa, S A ABSTRACT The flow behavior of lipid bilayer membranes is characterized by a surface viscosity for in-plane shear deformations, and an intermonolayer friction coefficient for slip between the two leaflets of the bilayer. Both properties have been studied for a variety of coarse-grained double-tailed model lipids, using equilibrium and nonequilibrium molecular dynamics simulations. For lipids with two identical tails, the surface shear viscosity rises rapidly...

Word of the Day
  • A vial or small glass bottle, especially one for holding vinegar, oil, etc.; a caster for liquids.
This word is Middle English in origin, and ultimately comes from the Old French, diminutive of 'crue,' flask.