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Multitask Deep Ensemble Prediction of Molecular Energetics ..:
Song Xia (3808810) ; Dongdong Zhang (644246) ; Yingkai Zhang (1292472)
https://figshare.com/articles/journal_contribution/Multitask_Deep_Ensemble_Prediction_of_Molecular_Energetics_in_Solution_From_Quantum_Mechanics_to_Experimental_Properties/21829902. , 2023
https://figshare.com/articles/journal_contribution/Multitask_Deep_Ensemble_Prediction_of_Molecular_Energetics_in_Solution_From_Quantum_Mechanics_to_Experimental_Properties/21829902. , 2023
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Peptide Tethering: Pocket-Directed Fragment Screening for P..:
Ashley E. Modell (11949910) ; Frank Marrone (11949913) ; Nihar R. Panigrahi (7433978)..
https://figshare.com/articles/journal_contribution/Peptide_Tethering_Pocket-Directed_Fragment_Screening_for_Peptidomimetic_Inhibitor_Discovery/18429943. , 2022
https://figshare.com/articles/journal_contribution/Peptide_Tethering_Pocket-Directed_Fragment_Screening_for_Peptidomimetic_Inhibitor_Discovery/18429943. , 2022
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Lin_F9: A Linear Empirical Scoring Function for Protein–Lig..:
Chao Yang (174810) ; Yingkai Zhang (1292472)
https://figshare.com/articles/dataset/Lin_F9_A_Linear_Empirical_Scoring_Function_for_Protein_Ligand_Docking/16556801. , 2021
https://figshare.com/articles/dataset/Lin_F9_A_Linear_Empirical_Scoring_Function_for_Protein_Ligand_Docking/16556801. , 2021
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Dataset Construction to Explore Chemical Space with 3D Geom..:
Jianing Lu (1439830) ; Song Xia (3808810) ; Jieyu Lu (10124828).
https://figshare.com/articles/journal_contribution/Dataset_Construction_to_Explore_Chemical_Space_with_3D_Geometry_and_Deep_Learning/14180023. , 2021
https://figshare.com/articles/journal_contribution/Dataset_Construction_to_Explore_Chemical_Space_with_3D_Geometry_and_Deep_Learning/14180023. , 2021
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Lin_F9: A Linear Empirical Scoring Function for Protein–Lig..:
Chao Yang (174810) ; Yingkai Zhang (1292472)
https://figshare.com/articles/dataset/Lin_F9_A_Linear_Empirical_Scoring_Function_for_Protein_Ligand_Docking/16556804. , 2021
https://figshare.com/articles/dataset/Lin_F9_A_Linear_Empirical_Scoring_Function_for_Protein_Ligand_Docking/16556804. , 2021
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Lin_F9: A Linear Empirical Scoring Function for Protein–Lig..:
Chao Yang (174810) ; Yingkai Zhang (1292472)
https://figshare.com/articles/journal_contribution/Lin_F9_A_Linear_Empirical_Scoring_Function_for_Protein_Ligand_Docking/16556798. , 2021
https://figshare.com/articles/journal_contribution/Lin_F9_A_Linear_Empirical_Scoring_Function_for_Protein_Ligand_Docking/16556798. , 2021
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Identification of Secondary Binding Sites on Protein Surfac..:
Justin M. Torner (11084946) ; Yuwei Yang (3684772) ; David Rooklin (1545196)..
https://figshare.com/articles/journal_contribution/Identification_of_Secondary_Binding_Sites_on_Protein_Surfaces_for_Rational_Elaboration_of_Synthetic_Protein_Mimics/14920206. , 1753
https://figshare.com/articles/journal_contribution/Identification_of_Secondary_Binding_Sites_on_Protein_Surfaces_for_Rational_Elaboration_of_Synthetic_Protein_Mimics/14920206. , 1753
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