Water in a hydrophobic model pore

Use this overview to select pictures of interest, find high resolution images in http://indigo1.biop.ox.ac.uk/users/oliver/download/Images/hypores/HiRes/ and normal images in this directory, http://indigo1.biop.ox.ac.uk/users/oliver/download/Images/hypores/. The caption is also available as ASCII txt.

HiRes/R0.6box_hires.tga.gz\|tif.gz\|jpg 15600017 bytes 2600 x 2000	HiRes/R0.6pore_hires.tga.gz\|tif.gz\|jpg 20280017 bytes 2600 x 2600 Image used in: Helmut Grubmüller, PNAS 100 (2003), 7421	R0.6pore_angle.tga\|jpg 2400016 bytes 800 x 1000 Image used in: A. Witze, The Dallas Morning News Aug 18, 2003, see the Media Coverage page.
R0.6pore_perspective.tga\|jpg 3900017 bytes 1300 x 1000	R0.6pore_trace.tif\|jpg 2400016 bytes 800 x 1000 Image used: Department of Biochemistry poster (editor: Ed Hart)	Water in a hydrophobic pore model. In molecular dynamics simulations water fills a model pore of radius 0.6 nm (length of the pore 0.8 nm, length of the mouth region on each side 0.4 nm). The static picture does not show the dynamic behaviour of water in this apparently simple geometry: The water in the pore fluctuates between liquid and vapour; the 0.6 nm pore (about four water molecules fit into the diametre) is almost void of water for more than one quarter of the total simulation time. The front half of the pore (cyan) and the membrane mimetic is removed for clarity. The surface is the solvent accessible surface of the model system, which is built from methane-like pseudo molecules of an approximate radius of 0.195 nm, thus approximating the hydrophobic surface of a protein channel.
HiRes/d2_hires.jpg\|tif.zip 1373677 bytes 4140 x 4980	HiRes/d2_midres.jpg\|tif.zip 686808 bytes 2484 x 2988	Caption for the Phys. Biol. image: Snapshot from a molecular dynamics simulation of water (in stick representation) in a simplified model of a predominantly hydrophobic ion channel pore (cyan) with hydrophilic groups (red/blue). (The image appeared as Figure 1 in Beckstein and Sansom, Physical Biology 1 (2004), 42-52)

Last modified: 2004-07-09 13:34:44+0100 by Oliver Beckstein
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HiRes/R0.6box_hires.tga.gz\|tif.gz\|jpg 15600017 bytes 2600 x 2000	HiRes/R0.6pore_hires.tga.gz\|tif.gz\|jpg 20280017 bytes 2600 x 2600 Image used in: Helmut Grubmüller, PNAS 100 (2003), 7421	R0.6pore_angle.tga\|jpg 2400016 bytes 800 x 1000 Image used in: A. Witze, The Dallas Morning News Aug 18, 2003, see the Media Coverage page.
R0.6pore_perspective.tga\|jpg 3900017 bytes 1300 x 1000	R0.6pore_trace.tif\|jpg 2400016 bytes 800 x 1000 Image used: Department of Biochemistry poster (editor: Ed Hart)	Water in a hydrophobic pore model. In molecular dynamics simulations water fills a model pore of radius 0.6 nm (length of the pore 0.8 nm, length of the mouth region on each side 0.4 nm). The static picture does not show the dynamic behaviour of water in this apparently simple geometry: The water in the pore fluctuates between liquid and vapour; the 0.6 nm pore (about four water molecules fit into the diametre) is almost void of water for more than one quarter of the total simulation time. The front half of the pore (cyan) and the membrane mimetic is removed for clarity. The surface is the solvent accessible surface of the model system, which is built from methane-like pseudo molecules of an approximate radius of 0.195 nm, thus approximating the hydrophobic surface of a protein channel.
HiRes/d2_hires.jpg\|tif.zip 1373677 bytes 4140 x 4980	HiRes/d2_midres.jpg\|tif.zip 686808 bytes 2484 x 2988	Caption for the Phys. Biol. image: Snapshot from a molecular dynamics simulation of water (in stick representation) in a simplified model of a predominantly hydrophobic ion channel pore (cyan) with hydrophilic groups (red/blue). (The image appeared as Figure 1 in Beckstein and Sansom, Physical Biology 1 (2004), 42-52)