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Number of items: 4.

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, p. 14. American Chemical Society, ISSN 1549-9618,
DOI: 10.1021/acs.jctc.0c01006,
[Article]

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,
[Article]

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,
[Article]

This list was generated on Tue Oct 19 02:57:54 2021 CEST.