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GPU-accelerated molecular modeling coming of age

, , , и . Journal of Molecular Graphics and Modelling, 29 (2): 116--125 (2010)

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David J Lutz

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David J Roy

 

Другие публикации лиц с тем же именем

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol., , , , , , , , , и 42 other автор(ы). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)GPU acceleration of cutoff pair potentials for molecular modeling applications., , , , и . Conf. Computing Frontiers, стр. 273-282. ACM, (2008)TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD., , , , и . J. Chem. Inf. Model., 56 (6): 1112-1116 (2016)Practical Construction of Modified Hamiltonians., и . SIAM J. Sci. Comput., 23 (4): 1172-1188 (2001)Multiple grid methods for classical molecular dynamics., , и . J. Comput. Chem., 23 (6): 673-684 (2002)Scalable molecular dynamics with NAMD on the Summit system., , , , , и . IBM J. Res. Dev., 62 (6): 4:1-4:9 (2018)Early Application Experiences on a Modern GPU-Accelerated Arm-based HPC Platform., , , , , , , , , и 24 other автор(ы). CoRR, (2022)The Multigrid N-Body Solver.. International Conference on Computational Science (2), том 2074 из Lecture Notes in Computer Science, стр. 1067. Springer, (2001)Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus., , , и . UrgentHPC@SC, стр. 1-10. IEEE, (2021)GPU-accelerated molecular modeling coming of age, , , и . Journal of Molecular Graphics and Modelling, 29 (2): 116--125 (2010)