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Journal Abstract Search

485 related items for PubMed ID: 24320250

  • 1. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects.
    Rocklin GJ, Mobley DL, Dill KA, Hünenberger PH.
    J Chem Phys; 2013 Nov 14; 139(18):184103. PubMed ID: 24320250
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  • 3. Correcting electrostatic artifacts due to net-charge changes in the calculation of ligand binding free energies.
    Öhlknecht C, Lier B, Petrov D, Fuchs J, Oostenbrink C.
    J Comput Chem; 2020 Apr 15; 41(10):986-999. PubMed ID: 31930547
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  • 10. Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges.
    Chen W, Deng Y, Russell E, Wu Y, Abel R, Wang L.
    J Chem Theory Comput; 2018 Dec 11; 14(12):6346-6358. PubMed ID: 30375870
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  • 15. Explicit Solvent Hydration Benchmark for Proteins with Application to the PBSA Method.
    Setny P, Dudek A.
    J Chem Theory Comput; 2017 Jun 13; 13(6):2762-2776. PubMed ID: 28498675
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