Accurate and rapid calculation of hydration free energy and its physical implication for biomolecular functions
Author:
Publisher
Springer Science and Business Media LLC
Subject
Molecular Biology,Structural Biology,Biophysics
Link
http://link.springer.com/content/pdf/10.1007/s12551-020-00686-5.pdf
Reference39 articles.
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3. Cann NM, Patey GN (1997) An investigation of the influence of solute size and insertion conditions on solvation thermodynamics. J Chem Phys 106:8165–8195. https://doi.org/10.1063/1.473822
4. Dullens RPA, Aaarts DGAL, Kegel WK, Lekkerkerker HNW (2005) The Widom insertion method and ordering in small hard-sphere systems. Mol Phys 103:3195–3200. https://doi.org/10.1080/00268970500221925
5. Ekimoto T, Matubayasi N, Ikeguchi M (2015) Finite-size effect on the charging free energy of protein in explicit solvent. J Chem Theory Comput 11:215–223. https://doi.org/10.1021/ct5008394
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