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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

175 related items for PubMed ID: 35314897

  • 1. Affinity prediction using deep learning based on SMILES input for D3R grand challenge 4.
    Lim S, Lee YO, Yoon J, Kim YJ.
    J Comput Aided Mol Des; 2022 Mar; 36(3):225-235. PubMed ID: 35314897
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  • 3. Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges.
    Nguyen DD, Cang Z, Wu K, Wang M, Cao Y, Wei GW.
    J Comput Aided Mol Des; 2019 Jan; 33(1):71-82. PubMed ID: 30116918
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  • 6. Improving ligand 3D shape similarity-based pose prediction with a continuum solvent model.
    Kumar A, Zhang KYJ.
    J Comput Aided Mol Des; 2019 Dec; 33(12):1045-1055. PubMed ID: 31463704
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  • 10. D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.
    Gaieb Z, Parks CD, Chiu M, Yang H, Shao C, Walters WP, Lambert MH, Nevins N, Bembenek SD, Ameriks MK, Mirzadegan T, Burley SK, Amaro RE, Gilson MK.
    J Comput Aided Mol Des; 2019 Jan; 33(1):1-18. PubMed ID: 30632055
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  • 11. D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
    Santos-Martins D, Eberhardt J, Bianco G, Solis-Vasquez L, Ambrosio FA, Koch A, Forli S.
    J Comput Aided Mol Des; 2019 Dec; 33(12):1071-1081. PubMed ID: 31691920
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  • 16. Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.
    Athanasiou C, Vasilakaki S, Dellis D, Cournia Z.
    J Comput Aided Mol Des; 2018 Jan; 32(1):21-44. PubMed ID: 29119352
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  • 17. Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset.
    Elisée E, Gapsys V, Mele N, Chaput L, Selwa E, de Groot BL, Iorga BI.
    J Comput Aided Mol Des; 2019 Dec; 33(12):1031-1043. PubMed ID: 31677003
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  • 20. Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.
    Baumgartner MP, Evans DA.
    J Comput Aided Mol Des; 2018 Jan; 32(1):45-58. PubMed ID: 29127581
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