Parallelization of particle-based reaction-diffusion simulations using MPI.

Autor: Guo S; TC Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD, 21218, USA., Korolija N; University of Belgrade, Serbia., Milfeld K; Texas Advanced Computing Center, USA., Jhaveri A; TC Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD, 21218, USA., Sang M; TC Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD, 21218, USA., Ying YM; TC Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD, 21218, USA., Johnson ME; TC Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD, 21218, USA.

Publikováno v: BioRxiv : the preprint server for biology [bioRxiv] 2024 Dec 10. Date of Electronic Publication: 2024 Dec 10.

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OpenMP offloading data transfer optimization for DCUs.

Autor: Guo, Hengliang¹ (AUTHOR), Zhang, Long^1,2 (AUTHOR), Zhang, Yi^1,2 (AUTHOR), Li, Jianan^1,2 (AUTHOR), Xu, Xiaoyue^1,2 (AUTHOR), Liu, Lu^1,2 (AUTHOR), Cai, Kuangsheng^1,2 (AUTHOR), Wu, Dan^1,2 (AUTHOR), Yang, Shuxin^1,2 (AUTHOR), Kong, Lingbo^1,2 (AUTHOR), Gao, Xu¹ (AUTHOR) gaoxu@zzu.edu.cn

Publikováno v: Journal of Supercomputing. Jan2024, Vol. 80 Issue 2, p2381-2402. 22p.

Comparison of the construction of a 3-D model for human thromboxane synthase using P450cam and BM-3 as templates: implications for the substrate binding pocket.

Autor: Ruan KH; Department of Internal Medicine, University of Texas Health Science Center at Houston 77030., Milfeld K, Kulmacz RJ, Wu KK

Publikováno v: Protein engineering [Protein Eng] 1994 Nov; Vol. 7 (11), pp. 1345-51.

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