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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: molecular dynamics study of a pair of methane molecules in water at various temperatures.
Sobolewski E, Makowski M, Oldziej S, Czaplewski C, Liwo A, Scheraga HA. Sobolewski E, et al. Among authors: oldziej s. Protein Eng Des Sel. 2009 Sep;22(9):547-52. doi: 10.1093/protein/gzp028. Epub 2009 Jun 25. Protein Eng Des Sel. 2009. PMID: 19556395 Free PMC article.
A united residue force-field for calcium-protein interactions.
Khalili M, Saunders JA, Liwo A, Ołdziej S, Scheraga HA. Khalili M, et al. Among authors: oldziej s. Protein Sci. 2004 Oct;13(10):2725-35. doi: 10.1110/ps.04878904. Protein Sci. 2004. PMID: 15388862 Free PMC article.
Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 3. Calculation and parameterization of the potentials of mean force of pairs of identical hydrophobic side chains.
Makowski M, Sobolewski E, Czaplewski C, Liwo A, Ołdziej S, No JH, Scheraga HA. Makowski M, et al. Among authors: oldziej s. J Phys Chem B. 2007 Mar 22;111(11):2925-31. doi: 10.1021/jp065918c. Epub 2007 Feb 27. J Phys Chem B. 2007. PMID: 17388418
73 results