Author

H. Hassan-Harrirou

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Biology Disciplines

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Biochemistry· 1

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Research Focus:benchmarking· 1 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1 Approach:transformer / foundation model· 1

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C. Zhang· 1 shared T. Lemmin· 1 shared

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2020-2020 · peak 1/yr

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1 shared paperBiochemistry

C. Zhang

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1 paper

Recent·Most cited

BiochemistrybioRxivMay 12, 2020

RosENet: Improving binding affinity prediction by leveraging molecular mechanics energies with a 3D Convolutional Neural Network

H. Hassan-Harrirou, C. Zhang, T. Lemmin

RosENet improves binding affinity prediction by combining 3D convolutional neural networks with voxelized molecular mechanics energies, achieving an RMSE of 1.26 on the PDBBind v2016 core set.

DOI 10.1021/acs.jcim.0c00075

protein structuredeep learning

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