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GPU-accelerated molecular modeling coming of age

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

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NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems., , , and . Bioinform., 35 (7): 1241-1243 (2019)TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD., , , , and . J. Chem. Inf. Model., 56 (6): 1112-1116 (2016)Analytic Rendering and Hardware-Accelerated Simulation for Scientific Applications., , , and . Comput. Sci. Eng., 24 (2): 4-6 (2022)GPU Computing., , , , , and . Proc. IEEE, 96 (5): 879-899 (2008)ANARI: ANAlytic Rendering Interface., , , , , , , , and . EuroVis (Posters), page 83-85. Eurographics Association, (2022)A system for interactive molecular dynamics simulation., , and . SI3D, page 191-194. ACM, (2001)GPU clusters for high-performance computing., , , , , , , and . CLUSTER, page 1-8. IEEE Computer Society, (2009)Adapting a message-driven parallel application to GPU-accelerated clusters., , and . SC, page 8. IEEE/ACM, (2008)Immersive Molecular Visualization with Omnidirectional Stereoscopic Ray Tracing and Remote Rendering., , and . IPDPS Workshops, page 1048-1057. IEEE Computer Society, (2016)Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads., , , , , and . IPDPS Workshops, page 89-100. IEEE Computer Society, (2016)