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377 related items for PubMed ID: 18080307
21. 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]
22. Many-body interaction in glycine-(water)3 complex using density functional theory method. Chaudhari A, Sahu PK, Lee SL. J Chem Phys; 2004 Jan 01; 120(1):170-4. PubMed ID: 15267274 [Abstract] [Full Text] [Related]
23. Binding of antifusion peptides with HIVgp41 from molecular dynamics simulations: quantitative correlation with experiment. Strockbine B, Rizzo RC. Proteins; 2007 May 15; 67(3):630-42. PubMed ID: 17335007 [Abstract] [Full Text] [Related]
24. Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. Freindorf M, Shao Y, Furlani TR, Kong J. J Comput Chem; 2005 Sep 15; 26(12):1270-8. PubMed ID: 15965971 [Abstract] [Full Text] [Related]
25. DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface. Costa D, Tougerti A, Tielens F, Gervais C, Stievano L, Lambert JF. Phys Chem Chem Phys; 2008 Nov 14; 10(42):6360-8. PubMed ID: 18972024 [Abstract] [Full Text] [Related]
26. Driving forces for adsorption of amphiphilic peptides to the air-water interface. Engin O, Villa A, Sayar M, Hess B. J Phys Chem B; 2010 Sep 02; 114(34):11093-101. PubMed ID: 20687527 [Abstract] [Full Text] [Related]
27. Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT. Du QS, Li DP, Liu PJ, Huang RB. J Mol Graph Model; 2008 Sep 02; 27(2):140-6. PubMed ID: 18485767 [Abstract] [Full Text] [Related]
28. Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding. Cole DJ, Payne MC, Csányi G, Spearing SM, Colombi Ciacchi L. J Chem Phys; 2007 Nov 28; 127(20):204704. PubMed ID: 18052443 [Abstract] [Full Text] [Related]
29. Studies of carbon incorporation on the diamond [100] surface during chemical vapor deposition using density functional theory. Cheesman A, Harvey JN, Ashfold MN. J Phys Chem A; 2008 Nov 13; 112(45):11436-48. PubMed ID: 18837545 [Abstract] [Full Text] [Related]
30. Critical examination of the supermolecule density functional theory calculations of intermolecular interactions. Cybulski SM, Seversen CE. J Chem Phys; 2005 Jan 01; 122(1):14117. PubMed ID: 15638652 [Abstract] [Full Text] [Related]
32. Contact angles of diiodomethane on silicon-doped diamond-like carbon coatings in electrolyte solutions. Borisenko KB, Evangelou EA, Zhao Q, Abel EW. J Colloid Interface Sci; 2008 Oct 15; 326(2):329-32. PubMed ID: 18657820 [Abstract] [Full Text] [Related]
33. Molecular dynamics study of zinc binding to cysteines in a peptide mimic of the alcohol dehydrogenase structural zinc site. Brandt EG, Hellgren M, Brinck T, Bergman T, Edholm O. Phys Chem Chem Phys; 2009 Feb 14; 11(6):975-83. PubMed ID: 19177216 [Abstract] [Full Text] [Related]
34. Hydroxyl-rich beta-sheet adhesion to the gold surface in water by first-principle simulations. Calzolari A, Cicero G, Cavazzoni C, Di Felice R, Catellani A, Corni S. J Am Chem Soc; 2010 Apr 07; 132(13):4790-5. PubMed ID: 20225820 [Abstract] [Full Text] [Related]
35. Imidazo[1,2-a]pyrazine-3,6-diones derived from alpha-amino acids: a theoretical mechanistic study of their formation via pyrolysis and silica-catalyzed process. Contreras-Torres FF, Basiuk VA. J Phys Chem A; 2006 Jun 15; 110(23):7431-40. PubMed ID: 16759132 [Abstract] [Full Text] [Related]
39. Density functional theory calculations and molecular dynamics simulations of the adsorption of biomolecules on graphene surfaces. Qin W, Li X, Bian WW, Fan XJ, Qi JY. Biomaterials; 2010 Feb 01; 31(5):1007-16. PubMed ID: 19880174 [Abstract] [Full Text] [Related]
40. Reduction of bacterial adhesion on modified DLC coatings. Liu C, Zhao Q, Liu Y, Wang S, Abel EW. Colloids Surf B Biointerfaces; 2008 Feb 15; 61(2):182-7. PubMed ID: 17897814 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]