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Journal Abstract Search

159 related items for PubMed ID: 21714553

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  • 5. Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
    Cui Q, Sulea T, Schrag JD, Munger C, Hung MN, Naïm M, Cygler M, Purisima EO.
    J Mol Biol; 2008 Jun 13; 379(4):787-802. PubMed ID: 18479705
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  • 6. The solvated interaction energy method for scoring binding affinities.
    Sulea T, Purisima EO.
    Methods Mol Biol; 2012 Jun 13; 819():295-303. PubMed ID: 22183544
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  • 7. Continuum solvation models in the linear interaction energy method.
    Carlsson J, Andér M, Nervall M, Aqvist J.
    J Phys Chem B; 2006 Jun 22; 110(24):12034-41. PubMed ID: 16800513
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  • 8. SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes.
    Zilian D, Sotriffer CA.
    J Chem Inf Model; 2013 Aug 26; 53(8):1923-33. PubMed ID: 23705795
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  • 9. Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind Challenges.
    Hogues H, Sulea T, Purisima EO.
    J Chem Inf Model; 2016 Jun 27; 56(6):955-64. PubMed ID: 26282162
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  • 10. Assessing scoring functions for protein-ligand interactions.
    Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL.
    J Med Chem; 2004 Jun 03; 47(12):3032-47. PubMed ID: 15163185
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  • 11. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes.
    Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT.
    J Med Chem; 2006 Oct 19; 49(21):6177-96. PubMed ID: 17034125
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  • 12. Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease.
    Sham YY, Chu ZT, Tao H, Warshel A.
    Proteins; 2000 Jun 01; 39(4):393-407. PubMed ID: 10813821
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  • 15. Computational protocol for predicting the binding affinities of zinc containing metalloprotein-ligand complexes.
    Jain T, Jayaram B.
    Proteins; 2007 Jun 01; 67(4):1167-78. PubMed ID: 17380508
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  • 17. Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations.
    Ben-Shalom IY, Pfeiffer-Marek S, Baringhaus KH, Gohlke H.
    J Chem Inf Model; 2017 Feb 27; 57(2):170-189. PubMed ID: 27996253
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