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Computational Engineering Commons

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Full-Text Articles in Computational Engineering

Comparing An Atomic Model Or Structure To A Corresponding Cryo-Electron Microscopy Image At The Central Axis Of A Helix, Stephanie Zeil, Julio Kovacs, Willy Wriggers, Jing He Jan 2017

Comparing An Atomic Model Or Structure To A Corresponding Cryo-Electron Microscopy Image At The Central Axis Of A Helix, Stephanie Zeil, Julio Kovacs, Willy Wriggers, Jing He

Computer Science Faculty Publications

Three-dimensional density maps of biological specimens from cryo-electron microscopy (cryo-EM) can be interpreted in the form of atomic models that are modeled into the density, or they can be compared to known atomic structures. When the central axis of a helix is detectable in a cryo-EM density map, it is possible to quantify the agreement between this central axis and a central axis calculated from the atomic model or structure. We propose a novel arc-length association method to compare the two axes reliably. This method was applied to 79 helices in simulated density maps and six case studies using cryo-EM ...


Compute As Fast As The Engineers Can Think! Utrafast Computing Team Final Report, Robert T. Biedron, P. Mehrotra, Michael L. Nelson, M. L. Preston, J. J. Rehder, J. L. Rogersm, D. H. Rudy, J. Sobieski, O. O. Storaasli Jan 1999

Compute As Fast As The Engineers Can Think! Utrafast Computing Team Final Report, Robert T. Biedron, P. Mehrotra, Michael L. Nelson, M. L. Preston, J. J. Rehder, J. L. Rogersm, D. H. Rudy, J. Sobieski, O. O. Storaasli

Computer Science Faculty Publications

This report documents findings and recommendations by the Ultrafast Computing Team (UCT). In the period 10-12/98, UCT reviewed design case scenarios for a supersonic transport and a reusable launch vehicle to derive computing requirements necessary for support of a design process with efficiency so radically improved that human thought rather than the computer paces the process. Assessment of the present computing capability against the above requirements indicated a need for further improvement in computing speed by several orders of magnitude to reduce time to solution from tens of hours to seconds in major applications. Evaluation of the trends in ...