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Scalable algorithms for molecular dynamics simulations on commodity clusters, , , , , , , , , and . SC'06: Proceedings of the 2006 ACM/IEEE Conference on Supercomputing, page 43--43. IEEE, (2006)Enhancing Ligand Pose Sampling for Molecular Docking., and . CoRR, (2023)Harnessing Simulation for Molecular Embeddings., , , , and . CoRR, (2023)ATOM3D: Tasks On Molecules in Three Dimensions., , , , , , , , , and 2 other author(s). CoRR, (2020)Hardware support for fine-grained event-driven computation in Anton 2., , , , , , , , , and 1 other author(s). ASPLOS, page 549-560. ACM, (2013)Tight Certification Techniques for Digit-by-Rounding Algorithms with Application to a New 1/sqrt(x) Design., , , and . IEEE Symposium on Computer Arithmetic, page 159-168. IEEE Computer Society, (2011)Radix-8 Digit-by-Rounding: Achieving High-Performance Reciprocals, Square Roots, and Reciprocal Square Roots., , , and . IEEE Symposium on Computer Arithmetic, page 149-158. IEEE Computer Society, (2011)A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories., , , , , , , , , and 1 other author(s). SC, page 56. IEEE/ACM, (2008)How Does a Drug Molecule Find Its Target Binding Site?, , , , , and . Journal of the American Chemical Society, 133 (24): 9181-9183 (2011)PMID: 21545110.Anton, a Special-purpose Machine for Molecular Dynamics Simulation, , , , , , , , , and 17 other author(s). Commun. ACM, 51 (7): 91--97 (July 2008)