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Pubmed for Handhelds

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Journal Abstract Search

228 related items for PubMed ID: 25189630

  • 21. A contribution to the drug resistance mechanism of darunavir, amprenavir, indinavir, and saquinavir complexes with HIV-1 protease due to flap mutation I50V: a systematic MM-PBSA and thermodynamic integration study.
    Leonis G, Steinbrecher T, Papadopoulos MG.
    J Chem Inf Model; 2013 Aug 26; 53(8):2141-53. PubMed ID: 23834142
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  • 23. Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.
    Gallicchio E, Deng N, He P, Wickstrom L, Perryman AL, Santiago DN, Forli S, Olson AJ, Levy RM.
    J Comput Aided Mol Des; 2014 Apr 26; 28(4):475-90. PubMed ID: 24504704
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  • 28. Exploring the drug resistance of V32I and M46L mutant HIV-1 protease to inhibitor TMC114: flap dynamics and binding mechanism.
    Meher BR, Wang Y.
    J Mol Graph Model; 2015 Mar 26; 56():60-73. PubMed ID: 25562662
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  • 32. Elucidating the energetics of entropically driven protein-ligand association: calculations of absolute binding free energy and entropy.
    Deng NJ, Zhang P, Cieplak P, Lai L.
    J Phys Chem B; 2011 Oct 20; 115(41):11902-10. PubMed ID: 21899337
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  • 34. Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
    Tiefenbrunn T, Forli S, Baksh MM, Chang MW, Happer M, Lin YC, Perryman AL, Rhee JK, Torbett BE, Olson AJ, Elder JH, Finn MG, Stout CD.
    ACS Chem Biol; 2013 Oct 20; 8(6):1223-31. PubMed ID: 23540839
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  • 35. Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization.
    Schaffer L, Verkhivker GM.
    Proteins; 1998 Nov 01; 33(2):295-310. PubMed ID: 9779795
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  • 37. Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor.
    Chen D, Ranganathan A, IJzerman AP, Siegal G, Carlsson J.
    J Chem Inf Model; 2013 Oct 28; 53(10):2701-14. PubMed ID: 23971943
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  • 38. Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge.
    Hogues H, Sulea T, Purisima EO.
    J Comput Aided Mol Des; 2014 Apr 28; 28(4):417-27. PubMed ID: 24474162
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  • 39. Parameterization of an effective potential for protein-ligand binding from host-guest affinity data.
    Wickstrom L, Deng N, He P, Mentes A, Nguyen C, Gilson MK, Kurtzman T, Gallicchio E, Levy RM.
    J Mol Recognit; 2016 Jan 28; 29(1):10-21. PubMed ID: 26256816
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