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453 related items for PubMed ID: 12214315
1. Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: on the correlation between crystal water sites, solvent density, and solvent dipole. Higo J, Nakasako M. J Comput Chem; 2002 Nov 15; 23(14):1323-36. PubMed ID: 12214315 [Abstract] [Full Text] [Related]
3. Large-scale networks of hydration water molecules around bovine beta-trypsin revealed by cryogenic X-ray crystal structure analysis. Nakasako M. J Mol Biol; 1999 Jun 11; 289(3):547-64. PubMed ID: 10356328 [Abstract] [Full Text] [Related]
4. An evaluation of implicit and explicit solvent model systems for the molecular dynamics simulation of bacteriophage T4 lysozyme. Arnold GE, Ornstein RL. Proteins; 1994 Jan 11; 18(1):19-33. PubMed ID: 8146120 [Abstract] [Full Text] [Related]
5. Extracting hydration sites around proteins from explicit water simulations. Henchman RH, McCammon JA. J Comput Chem; 2002 Jul 15; 23(9):861-9. PubMed ID: 11984847 [Abstract] [Full Text] [Related]
6. Large-scale networks of hydration water molecules around proteins investigated by cryogenic X-ray crystallography. Nakasako M. Cell Mol Biol (Noisy-le-grand); 2001 Jul 15; 47(5):767-90. PubMed ID: 11728092 [Abstract] [Full Text] [Related]
9. Distribution function implied dynamics versus residence times and correlations: solvation shells of myoglobin. Lounnas V, Pettitt BM. Proteins; 1994 Feb 15; 18(2):148-60. PubMed ID: 8159664 [Abstract] [Full Text] [Related]
11. Molecular dynamics simulations for water and ions in protein crystals. Hu Z, Jiang J. Langmuir; 2008 Apr 15; 24(8):4215-23. PubMed ID: 18318554 [Abstract] [Full Text] [Related]
13. Prediction of hydration structures around hydrophilic surfaces of proteins by using the empirical hydration distribution functions from a database analysis. Matsuoka D, Nakasako M. J Phys Chem B; 2010 Apr 08; 114(13):4652-63. PubMed ID: 20201497 [Abstract] [Full Text] [Related]
14. Continuum electrostatic analysis of preferred solvation sites around proteins in solution. Dennis S, Camacho CJ, Vajda S. Proteins; 2000 Feb 01; 38(2):176-88. PubMed ID: 10656264 [Abstract] [Full Text] [Related]
15. Water in hydrated orthorhombic lysozyme crystal: Insight from atomistic simulations. Hu Z, Jiang J, Sandler SI. J Chem Phys; 2008 Aug 21; 129(7):075105. PubMed ID: 19044806 [Abstract] [Full Text] [Related]
16. Acceptable protein and solvent behavior in primary hydration shell simulations of hen lysozyme. Hamaneh MB, Buck M. Biophys J; 2007 Apr 01; 92(7):L49-51. PubMed ID: 17259273 [Abstract] [Full Text] [Related]
17. Collective solvent flows around a protein investigated by molecular dynamics simulation. Umezawa K, Higo J, Shimotakahara S, Shindo H. J Chem Phys; 2007 Jul 28; 127(4):045101. PubMed ID: 17672724 [Abstract] [Full Text] [Related]