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Accelerating AutoDock4 with GPUs and Gradient-Based Local Search.
Santos-Martins D, Solis-Vasquez L, Tillack AF, Sanner MF, Koch A, Forli S. Santos-Martins D, et al. Among authors: koch a. J Chem Theory Comput. 2021 Feb 9;17(2):1060-1073. doi: 10.1021/acs.jctc.0c01006. Epub 2021 Jan 6. J Chem Theory Comput. 2021. PMID: 33403848 Free PMC article.
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research.
LeGrand S, Scheinberg A, Tillack AF, Thavappiragasam M, Vermaas JV, Agarwal R, Larkin J, Poole D, Santos-Martins D, Solis-Vasquez L, Koch A, Forli S, Hernandez O, Smith JC, Sedova A. LeGrand S, et al. Among authors: koch a. ArXiv [Preprint]. 2020 Jul 6:arXiv:2007.03678v1. ArXiv. 2020. PMID: 32676519 Free PMC article. Preprint.
Rescue therapy after failed thrombectomy in medium/distal vessel occlusions: A retrospective analysis of an international, multi-center registry.
Anastasiou A, Brehm A, Dobrocky T, Mujanovic A, de Dios Lascuevas M, Carmona Fuentes T, López-Frías López-Jurado A, Hidalgo Valverde B, Berlis A, Maurer CJ, Nguyen TN, Abdalkader M, Klein P, Thevoz G, Michel P, Kaschner M, Weiss D, Alexandre AM, Pedicelli A, Machi P, Bernava G, Kuwahara S, Uchida K, Wenderoth J, Joshi A, Karwacki G, Lakatos LB, Tessitore A, Vinci SL, Cervo A, Rollo C, Hui F, Mozumder AS, Romano DG, Flora G, Goyal N, Batra V, Inoa V, Cognard C, Hoferica M, Rautio R, Kaiser D, Alph H, Clarke J, Hug N, Koch A, Schulze-Zachau V, Rommers N, Katan M, Psychogios MN. Anastasiou A, et al. Among authors: koch a. Eur Stroke J. 2025 Jan 4:23969873241311152. doi: 10.1177/23969873241311152. Online ahead of print. Eur Stroke J. 2025. PMID: 39754521 Free PMC article.
Possible scenarios for the spread of mpox outside the endemic focus in Africa.
Petersen E, Hvid U, Tomori O, Pedersen AG, Wallinga J, Pebody R, Cenciarelli O, Aavitsland P, Van Laeken D, Andreasen V, Schneider U, Simonsen JK, Goedknegt MJF, Johannesen CK, Lundgren JD, Koch A, Søborg B, Ekström AM, Nohynek H, Aarestrup FM, Krause TG, Simonsen L. Petersen E, et al. Among authors: koch a. Int J Infect Dis. 2024 Dec 27:107373. doi: 10.1016/j.ijid.2024.107373. Online ahead of print. Int J Infect Dis. 2024. PMID: 39733916 Free article.
3,062 results