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PUBMED FOR HANDHELDS

Journal Abstract Search


314 related items for PubMed ID: 30550274

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  • 3. Machine learning builds full-QM precision protein force fields in seconds.
    Han Y, Wang Z, Wei Z, Liu J, Li J.
    Brief Bioinform; 2021 Nov 05; 22(6):. PubMed ID: 34017993
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  • 4. Fragment quantum mechanical calculation of proteins and its applications.
    He X, Zhu T, Wang X, Liu J, Zhang JZ.
    Acc Chem Res; 2014 Sep 16; 47(9):2748-57. PubMed ID: 24851673
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  • 8. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z, Yang W.
    J Chem Phys; 2004 Jul 01; 121(1):89-100. PubMed ID: 15260525
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  • 11. Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods.
    Ryde U, Söderhjelm P.
    Chem Rev; 2016 May 11; 116(9):5520-66. PubMed ID: 27077817
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  • 15. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H, Lu Z, Parks JM, Burger SK, Yang W.
    J Chem Phys; 2008 Jan 21; 128(3):034105. PubMed ID: 18205486
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  • 16. Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications.
    Moerman E, Furman D, Wales DJ.
    J Chem Theory Comput; 2021 Jan 12; 17(1):497-514. PubMed ID: 33337878
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