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Number of items: 7.

Santos-Martins, Diogo ; Solis-Vasquez, Leonardo ; Tillack, Andreas F. ; Sanner, Michel F. ; Koch, Andreas ; Forli, Stefano (2021):
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search.
In: Journal of Chemical Theory and Computation, 17 (2), pp. 1060-1073. American Chemical Society, ISSN 1549-9618,
DOI: 10.1021/acs.jctc.0c01006,

Solis-Vasquez, Leonardo ; Santos-Martins, Diogo ; Koch, Andreas ; Forli, Stefano (2020):
Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking.
pp. 162-166, IEEE, 28th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP 2020), Västerås, Sweden, 11.-13.03., ISBN 9781728165837,
DOI: 10.1109/PDP50117.2020.00031,
[Conference or Workshop Item]

El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya ; Eberhardt, Jérôme ; Bianco, Giulia ; Ambrosio, Francesca Alessandra ; Solis-Vasquez, Leonardo ; Koch, Andreas ; Forli, Stefano ; Mobley, David L. (2019):
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
In: Journal of Computer-Aided Molecular Design, 33 (12), pp. 1011-1020. Springer, ISSN 0920-654X,
DOI: 10.1007/s10822-019-00240-w,

Santos-Martins, Diogo ; Eberhardt, Jerome ; Bianco, Giulia ; Solis-Vasquez, Leonardo ; Ambrosio, Francesca Alessandra ; Koch, Andreas ; Forli, Stefano (2019):
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
In: Journal of Computer-Aided Molecular Design, 33 (12), pp. 1071-1081. Springer, ISSN 0920-654X,
DOI: 10.1007/s10822-019-00241-9,

Sommer, Lukas ; Stock, Florian-Wolfgang ; Solis-Vasquez, Leonardo ; Koch, Andreas
Forschungsvereinigung Automobieltechnik (ed.) (2019):
EPHoS: Evaluation of Programming Models for Heterogeneous Systems.
In: FAT-Schriftenreihe, 317, Forschungsvereinigung Automobiltechnik, e-ISSN 21927863,

Solis-Vasquez, Leonardo ; Koch, Andreas (2018):
A Case Study in Using OpenCL on FPGAs: Creating an Open-Source Accelerator of the AutoDock Molecular Docking Software.
Fifth International Workshop on FPGAs for Software Programmers (FSP), Dublin, Ireland, August 31, 2018, ISBN 978-3-8007-4723-8,
[Conference or Workshop Item]

Solis-Vasquez, Leonardo ; Koch, Andreas (2017):
A Performance and Energy Evaluation of OpenCL-Accelerated Molecular Docking.
Association for Computing Machinery, 5th International Workshop on OpenCL (IWOCL 2017), Toronto, Canada, 16.-18.05., ISBN 9781450352147,
DOI: 10.1145/3078155.3078167,
[Conference or Workshop Item]

This list was generated on Tue Nov 29 02:00:41 2022 CET.