Publications by authors named "Scott LeGrand"

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Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking.
Leonardo Solis-Vasquez, Andreas F Tillack, Diogo Santos-Martins, Andreas Koch, Scott LeGrand

Parallel Comput· March 2022

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GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research.
Scott LeGrand, Aaron Scheinberg, Andreas F Tillack, Mathialakan Thavappiragasam, Josh V Vermaas

ArXiv· July 2020

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GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features.
Tai-Sung Lee, David S Cerutti, Dan Mermelstein, Charles Lin, Scott LeGrand

J Chem Inf Model· October 2018

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Accelerating molecular dynamic simulation on graphics processing units.
Mark S Friedrichs, Peter Eastman, Vishal Vaidyanathan, Mike Houston, Scott Legrand

J Comput Chem· April 2009

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Craniocervical motion during direct laryngoscopy and orotracheal intubation with the Macintosh and Miller blades: an in vivo cinefluoroscopic study.
Scott A LeGrand, Bradley J Hindman, Franklin Dexter, Julie B Weeks, Michael M Todd

Anesthesiology· December 2007

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Reliability of a telephone-based Glasgow Outcome Scale assessment using a structured interview in a heterogenous population of patients and examiners.
Scott A LeGrand, Bradley J Hindman, Franklin Dexter, Linda G Moss, Michael M Todd

J Neurotrauma· September 2007

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Neuropsychological executive functions of adolescent sex offenders and nonsex offenders.
Carol Veneziano, Louis Veneziano, Scott LeGrand, Linda Richards

Percept Mot Skills· April 2004

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