39 Publications (Page 1 of 2)
2011
A Kirkwood-Buff force field for the aromatic amino acidsPloetz, Elizabeth A and Smith, Paul EPhysical Chemistry Chemical Physics, vol. 13, (no. 40), pp. 18154-18167, 2011.
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2010
The effect of urea on the morphology of NaCl crystals: A combined theoretical and simulation studySmith, Paul EFluid Phase Equilibria, vol. 290, (no. 1-2), pp. 36-42, 2010.
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2009
Direct Observation of Gold Nanoparticle Assemblies with the Porin MspA on MicaBasel, Matthew T⋅Dani, Raj K⋅Kang, Myungshim⋅Pavlenok, Mikhail⋅Chikan, Viktor⋅Smith, Paul E⋅Niederweis, Michael and Bossmann, StefanACS Nano, vol. 3, (no. 2), pp. 462-466, 2009.
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2008
Kirkwood-Buff theory of four and higher component mixtures.Kang, Myungshim and Smith, Paul EThe Journal of chemical physics, vol. 128, (no. 24), pp. 244511, 2008/Jun/28.
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MspA Porin-Gold Nanoparticle Assemblies: Enhanced Binding through a Controlled Cysteine MutationKalita, Mausam⋅Dani, Raj K⋅Bossmann, Stefan⋅Chikan, Viktor⋅Kang, Myungshim and Smith, Paul ENano Letters, vol. 8, (no. 4), pp. 1229-1236, 2008.
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On the Kirkwood-Buff inversion procedure.Smith, Paul EThe Journal of chemical physics, vol. 129, (no. 12), pp. 124509, 2008/Sep/28.
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On the theory of solute solubility in mixed solvents.Smith, Paul E and Mazo, Robert MThe journal of physical chemistry. B, vol. 112, (no. 26), pp. 7875-84, 2008/Jul/3.
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Recent applications of Kirkwood-Buff theory to biological systems.Pierce, Veronica⋅Kang, Myungshim⋅Aburi, Mahalaxmi⋅Weerasinghe, Samantha and Smith, Paul ECell biochemistry and biophysics, vol. 50, (no. 1), pp. 1-22, 2008.
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Theory and computer simulation of solute effects on the surface tension of liquids.Chen, Feng and Smith, Paul EThe journal of physical chemistry. B, vol. 112, (no. 30), pp. 8975-84, 2008/Jul/31.
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2007
Simulated surface tensions of common water models.Chen, Feng and Smith, Paul EThe Journal of chemical physics, vol. 126, (no. 22), pp. 221101, 2007/Jun/14.
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2006
A Kirkwood-Buff derived force field for amidesKang, Myungshim and Smith, Paul EJournal of Computational Chemistry, vol. 27, (no. 13), pp. 1477, Oct 2006.
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Chemical Potential Derivatives and Preferential Interaction Parameters in Biological Systems from Kirkwood-Buff TheorySmith, Paul EBiophysical Journal, vol. 91, (no. 3), pp. 849-56, Aug 1, 2006.
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Equilibrium dialysis data and the relationships between preferential interaction parameters for biological systems in terms of Kirkwood-Buff integrals.Smith, Paul EThe journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, vol. 110, (no. 6), pp. 2862-8, 2006/Feb/16.
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NMR structure and dynamic studies of an anion-binding, channel-forming heptapeptide.Cook, Gabriel A⋅Pajewski, Robert⋅Aburi, Mahalaxmi⋅Smith, Paul E⋅Prakash, Om⋅Tomich, John M and Gokel, George WJournal of the American Chemical Society, vol. 128, (no. 5), pp. 1633-8, 2006/Feb/8.
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2005
A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions.Weerasinghe, Samantha and Smith, Paul EThe journal of physical chemistry. B, vol. 109, (no. 31), pp. 15080-6, 2005/Aug/11.
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Protein volume changes on cosolvent denaturation.Smith, Paul EBiophysical chemistry, vol. 113, (no. 3), pp. 299-302, 2005/Mar/1.
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2004
A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions.Weerasinghe, Samantha and Smith, Paul EThe Journal of chemical physics, vol. 121, (no. 5), pp. 2180-6, 2004/Aug/1.
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Modeling and simulation of the human delta opioid receptor.Aburi, Mahalaxmi and Smith, Paul EProtein science : a publication of the Protein Society, vol. 13, (no. 8), pp. 1997-2008, 2004/Aug.
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2003
The Role of the Unfolded State in Hairpin StabilityLei, Hongxing and Smith, Paul EBiophysical Journal, vol. 85, (no. 6), pp. 3513-20, Dec 2003.
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2002
A conformational analysis of leucine enkephalin as a function of pH.Aburi, Mahalaxmi and Smith, Paul EBiopolymers, vol. 64, (no. 4), pp. 177-88, 2002/Aug/5.
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A structurally conserved water molecule in Rossmann dinucleotide-binding domains.Bottoms, Christopher A⋅Smith, Paul E and Tanner, John JProtein science : a publication of the Protein Society, vol. 11, (no. 9), pp. 2125-37, 2002/Sep.
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2000
Conformations of nicotinamide adenine dinucleotide (NAD(+)) in various environments.Smith, Paul E and Tanner, John JJournal of molecular recognition : JMR, vol. 13, (no. 1), pp. 27-34, 2000 Jan-Feb.
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Residence times of water molecules in the hydration sites of myoglobin.Makarov, V A⋅Andrews, B K⋅Smith, Paul E and Pettitt, B. MBiophysical journal, vol. 79, (no. 6), pp. 2966-74, 2000/Dec.
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1999
Comparison of the potentials of mean force for alanine tetrapeptide between integral equation theory and simulation.Prabhu, N V⋅Perkyns, J S⋅Blatt, H D⋅Smith, Paul E and Pettitt, B. MBiophysical chemistry, vol. 78, (no. 1-2), pp. 113-26, 1999/Apr/5.
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1998
Comparison of simulated and experimentally determined dynamics for a variant of the Lacl DNA-binding domain, Nlac-P.Swint-Kruse, L⋅Matthews, K S⋅Smith, Paul E and Pettitt, B MBiophysical journal, vol. 74, (no. 1), pp. 413-21, 1998/Jan.
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