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265 related items for PubMed ID: 20941733
1. Electrostatic solvation free energy of amino acid side chain analogs: implications for the validity of electrostatic linear response in water. Lin B, Pettitt BM. J Comput Chem; 2011 Apr 15; 32(5):878-85. PubMed ID: 20941733 [Abstract] [Full Text] [Related]
2. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models. Shirts MR, Pande VS. J Chem Phys; 2005 Apr 01; 122(13):134508. PubMed ID: 15847482 [Abstract] [Full Text] [Related]
3. Free energy profiles of amino acid side chain analogs near water-vapor interface obtained via MD simulations. Shaytan AK, Ivanov VA, Shaitan KV, Khokhlov AR. J Comput Chem; 2010 Jan 15; 31(1):204-16. PubMed ID: 19421988 [Abstract] [Full Text] [Related]
4. Solvation free energy of amino acids and side-chain analogues. Chang J, Lenhoff AM, Sandler SI. J Phys Chem B; 2007 Mar 01; 111(8):2098-106. PubMed ID: 17269814 [Abstract] [Full Text] [Related]
5. Calculation of the free energy of solvation for neutral analogs of amino acid side chains. Villa A, Mark AE. J Comput Chem; 2002 Apr 15; 23(5):548-53. PubMed ID: 11948581 [Abstract] [Full Text] [Related]
6. Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins. Avbelj F. J Mol Biol; 2000 Jul 28; 300(5):1335-59. PubMed ID: 10903873 [Abstract] [Full Text] [Related]
7. Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase. Archontis G, Simonson T, Karplus M. J Mol Biol; 2001 Feb 16; 306(2):307-27. PubMed ID: 11237602 [Abstract] [Full Text] [Related]
8. Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies. Genheden S, Ryde U. Proteins; 2012 May 16; 80(5):1326-42. PubMed ID: 22274991 [Abstract] [Full Text] [Related]
9. Comparison of two simulation methods to compute solvation free energies and partition coefficients. Yang L, Ahmed A, Sandler SI. J Comput Chem; 2013 Feb 05; 34(4):284-93. PubMed ID: 23109246 [Abstract] [Full Text] [Related]
10. Hydration free energies of amino acids: why side chain analog data are not enough. König G, Boresch S. J Phys Chem B; 2009 Jul 02; 113(26):8967-74. PubMed ID: 19507836 [Abstract] [Full Text] [Related]
12. Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures. Feig M, Onufriev A, Lee MS, Im W, Case DA, Brooks CL. J Comput Chem; 2004 Jan 30; 25(2):265-84. PubMed ID: 14648625 [Abstract] [Full Text] [Related]
19. Interaction-component analysis of the urea effect on amino acid analogs. Karino Y, Matubayasi N. Phys Chem Chem Phys; 2013 Mar 28; 15(12):4377-91. PubMed ID: 23416730 [Abstract] [Full Text] [Related]