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Theoretical and Computational Chemistry

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Leonardo Solis-Vasquez

2 results in Authors: Leonardo Solis-Vasquez

Theoretical and Computational Chemistry

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérome Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, David Mobley

Version 1 posted 24 June 2019

1,528

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Theoretical and Computational Chemistry

Accelerating AutoDock4 with GPUs and Gradient-Based Local Search

Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli

Version 1 posted 23 August 2019

1,940

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5

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