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Page 1
Improvements to the APBS biomolecular solvation software suite.
Jurrus E, Engel D, Star K, Monson K, Brandi J, Felberg LE, Brookes DH, Wilson L, Chen J, Liles K, Chun M, Li P, Gohara DW, Dolinsky T, Konecny R, Koes DR, Nielsen JE, Head-Gordon T, Geng W, Krasny R, Wei GW, Holst MJ, McCammon JA, Baker NA. Jurrus E, et al. Protein Sci. 2018 Jan;27(1):112-128. doi: 10.1002/pro.3280. Epub 2017 Oct 24. Protein Sci. 2018. PMID: 28836357 Free PMC article.
Progress in the prediction of pKa values in proteins.
Alexov E, Mehler EL, Baker N, Baptista AM, Huang Y, Milletti F, Nielsen JE, Farrell D, Carstensen T, Olsson MH, Shen JK, Warwicker J, Williams S, Word JM. Alexov E, et al. Proteins. 2011 Dec;79(12):3260-75. doi: 10.1002/prot.23189. Epub 2011 Oct 15. Proteins. 2011. PMID: 22002859 Free PMC article. Review.
Variational approach for nonpolar solvation analysis.
Chen Z, Zhao S, Chun J, Thomas DG, Baker NA, Bates PW, Wei GW. Chen Z, et al. J Chem Phys. 2012 Aug 28;137(8):084101. doi: 10.1063/1.4745084. J Chem Phys. 2012. PMID: 22938212 Free PMC article.
44 results