RosENet: Improving Binding Affinity Prediction by Leveraging Molecular Mechanics Energies with an Ensemble of 3D Convolutional Neural Networks - researchr publication

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Hussein Hassan-Harrirou, Ce Zhang, Thomas Lemmin. RosENet: Improving Binding Affinity Prediction by Leveraging Molecular Mechanics Energies with an Ensemble of 3D Convolutional Neural Networks. Journal of Chemical Information and Computer Sciences, 60(6):2791-2802, 2020. [doi]

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