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