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Andreas Koch 0001

Name: dblp XML data dump
Creator: Schloss Dagstuhl - Leibniz Center for Informatics
Published: 1993
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: dblp, XML, computer science, scholarly publications, metadata

◀ ▶ joint publications with Stefano Forli

> Home > Persons > Andreas Koch 0001

Publications

2022
[j22]
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  - journals/pc/Solis-VasquezTS22
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  - https://dblp.org/rec/journals/pc/Solis-VasquezTS22
Leonardo Solis-Vasquez, Andreas F. Tillack, Diogo Santos-Martins, Andreas Koch, Scott LeGrand, Stefano Forli:
Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking. Parallel Comput. 109: 102861 (2022)
2020
[c96]
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  - conf/bcb/LeGrandSTTVALPS20
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  - https://dblp.org/rec/conf/bcb/LeGrandSTTVALPS20
Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh Vincent Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, Oscar R. Hernandez, Jeremy C. Smith, Ada Sedova:
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research. BCB 2020: 43:1-43:10
[c88]
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  - conf/pdp/Solis-VasquezS020
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Leonardo Solis-Vasquez, Diogo Santos-Martins, Andreas Koch, Stefano Forli:
Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking. PDP 2020: 162-166
[c86]
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  - conf/sc/Solis-VasquezST20
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Leonardo Solis-Vasquez, Diogo Santos-Martins, Andreas F. Tillack, Andreas Koch, Jérôme Eberhardt, Stefano Forli:
Parallelizing Irregular Computations for Molecular Docking. IA3@SC 2020: 12-21
2019
[j14]
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  - journals/jcamd/El-KhourySSEBAS19
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  - https://dblp.org/rec/journals/jcamd/El-KhourySSEBAS19
Lea El-Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérôme Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, David L. Mobley:
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. 33(12): 1011-1020 (2019)
[j13]
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  - journals/jcamd/Santos-MartinsE19
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Diogo Santos-Martins, Jérôme Eberhardt, Giulia Bianco, Leonardo Solis-Vasquez, Francesca Alessandra Ambrosio, Andreas Koch, Stefano Forli:
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU. J. Comput. Aided Mol. Des. 33(12): 1071-1081 (2019)

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