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Accelrys
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Software for pharmaceutical and chemical research. "Accelrys provides software solutions for pharmaceutical and chemical research. Through computation, simulation, and the management and mining of scientific data, we accelerate product design, discovery, and development. Our platform technology and consulting services enable enterprise-wide solutions. The result is great science, faster." See their complete Image Gallery.
A single strand of DNA attached to a Gold surface. The system is a simplified prototype of a DNA-chip. Structural and dynamical properties can be studied using Materials Studio's Discover |
'Buckyaspirin' - an aspirin molecule attached to a Buckyball. An orbital localized on the phenyl ring is displayed. Calculation performed with Materials Studio's VAMP. |
Electron density isosurface (in gray) of buckminster fullerene with two slices showing maps of the electrostatic potential. |
Cluster of 5 water molecules interacting with the tip of 'buckytube' probe. Image shows an isosurface of the highest occupied molecular orbital. |
A polymer chain helically wrapping a carbon nanotube. Structure optimized with Materials Studio's Discover and the COMPASS forcefield. |
SnO2 nanoribbon with exposed (10-1) and (010) surfaces. Such a system can be used as ultrasensitive nanosensors for various gases, e.g., NO2, O2, and CO. Calculations performed with Materials Studio's DMol3. |
Five water molecules forming a H-bonded complex just above a carbon nanotube tip. The HOMO is confined to the nanotube only. The presence of polar water molecules enhances field-emission current from nanotube tip. Calculations performed with Materials Studio's DMol3. |
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