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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

299 related items for PubMed ID: 29127581

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  • 4. A cross docking pipeline for improving pose prediction and virtual screening performance.
    Kumar A, Zhang KYJ.
    J Comput Aided Mol Des; 2018 Jan; 32(1):163-173. PubMed ID: 28836076
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  • 5. Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges.
    Wingert BM, Oerlemans R, Camacho CJ.
    J Comput Aided Mol Des; 2018 Jan; 32(1):287-297. PubMed ID: 28918599
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  • 6. Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort.
    Gao YD, Hu Y, Crespo A, Wang D, Armacost KA, Fells JI, Fradera X, Wang H, Wang H, Sherborne B, Verras A, Peng Z.
    J Comput Aided Mol Des; 2018 Jan; 32(1):129-142. PubMed ID: 28986733
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  • 10. Ranking docking poses by graph matching of protein-ligand interactions: lessons learned from the D3R Grand Challenge 2.
    da Silva Figueiredo Celestino Gomes P, Da Silva F, Bret G, Rognan D.
    J Comput Aided Mol Des; 2018 Jan; 32(1):75-87. PubMed ID: 28766097
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  • 14. Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2.
    Kadukova M, Grudinin S.
    J Comput Aided Mol Des; 2018 Jan; 32(1):151-162. PubMed ID: 28913782
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  • 16. Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.
    Salmaso V, Sturlese M, Cuzzolin A, Moro S.
    J Comput Aided Mol Des; 2018 Jan; 32(1):251-264. PubMed ID: 28840418
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  • 18. Predicting the affinity of Farnesoid X Receptor ligands through a hierarchical ranking protocol: a D3R Grand Challenge 2 case study.
    Réau M, Langenfeld F, Zagury JF, Montes M.
    J Comput Aided Mol Des; 2018 Jan; 32(1):231-238. PubMed ID: 28913743
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  • 19. 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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