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Patricia Suriana

Enhancing Ligand Pose Sampling for Molecular Docking

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Nov 30, 2023
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FlexVDW: A machine learning approach to account for protein flexibility in ligand docking

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Mar 20, 2023
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ATOM3D: Tasks On Molecules in Three Dimensions

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Dec 07, 2020
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Protein model quality assessment using rotation-equivariant, hierarchical neural networks

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Nov 27, 2020
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Learning from Protein Structure with Geometric Vector Perceptrons

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Sep 03, 2020
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Tiramisu: A Code Optimization Framework for High Performance Systems

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Sep 26, 2018
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