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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

359 related items for PubMed ID: 26400829

  • 21.
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  • 22. Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.
    Chudyk EI, Sarrat L, Aldeghi M, Fedorov DG, Bodkin MJ, James T, Southey M, Robinson R, Morao I, Heifetz A.
    Methods Mol Biol; 2018; 1705():179-195. PubMed ID: 29188563
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  • 27. Computer-Aided Drug Design Using the Fragment Molecular Orbital Method: Current Status and Future Applications for SBDD.
    Takaya D.
    Chem Pharm Bull (Tokyo); 2024; 72(9):781-786. PubMed ID: 39218702
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  • 28. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
    Li Q, Gusarov S, Evoy S, Kovalenko A.
    J Phys Chem B; 2009 Jul 23; 113(29):9958-67. PubMed ID: 19545155
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  • 30. Fragment Molecular Orbital Based Affinity Prediction toward Pyruvate Dehydrogenase Kinases: Insights into the Charge Transfer in Hydrogen Bond Networks.
    Akaki T, Nakamura S, Nishiwaki K, Nakanishi I.
    Chem Pharm Bull (Tokyo); 2023 Apr 01; 71(4):299-306. PubMed ID: 36724968
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  • 33. Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methods.
    Steinmann C, Fedorov DG, Jensen JH.
    J Phys Chem A; 2010 Aug 26; 114(33):8705-12. PubMed ID: 20446697
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  • 34. [Large scale quantum chemical calculation for drug discovery].
    Kitaura K.
    Yakugaku Zasshi; 2011 Aug 26; 131(8):1163-9. PubMed ID: 21804319
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  • 35. An electronic environment and contact direction sensitive scoring function for predicting affinities of protein-ligand complexes in Contour(®).
    Lindblom PR, Wu G, Liu Z, Jim KC, Baldwin JJ, Gregg RE, Claremon DA, Singh SB.
    J Mol Graph Model; 2014 Sep 26; 53():118-127. PubMed ID: 25123650
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  • 39. Discovery of a novel SHP2 allosteric inhibitor using virtual screening, FMO calculation, and molecular dynamic simulation.
    Yuan Z, Zhang M, Chang L, Chen X, Ruan S, Shi S, Zhang Y, Zhu L, Li H, Li S.
    J Mol Model; 2024 Apr 13; 30(5):131. PubMed ID: 38613643
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