39 Publications (Page 1 of 2)
2011
A Kirkwood-Buff force field for the aromatic amino acids
Ploetz, Elizabeth A and Smith, Paul E
Physical Chemistry Chemical Physics, vol. 13, (no. 40), pp. 18154-18167, 2011. | Journal Article
2010
The effect of urea on the morphology of NaCl crystals: A combined theoretical and simulation study
Smith, Paul E
Fluid Phase Equilibria, vol. 290, (no. 1-2), pp. 36-42, 2010. | Journal Article
2009
Direct Observation of Gold Nanoparticle Assemblies with the Porin MspA on Mica
Basel, Matthew T⋅Dani, Raj K⋅Kang, Myungshim⋅Pavlenok, Mikhail⋅Chikan, Viktor⋅Smith, Paul E⋅Niederweis, Michael and Bossmann, Stefan
ACS Nano, vol. 3, (no. 2), pp. 462-466, 2009. | Journal Article
2008
Kirkwood-Buff theory of four and higher component mixtures.
Kang, Myungshim and Smith, Paul E
The Journal of chemical physics, vol. 128, (no. 24), pp. 244511, 2008/Jun/28. | Journal Article
 
MspA Porin-Gold Nanoparticle Assemblies: Enhanced Binding through a Controlled Cysteine Mutation
Kalita, Mausam⋅Dani, Raj K⋅Bossmann, Stefan⋅Chikan, Viktor⋅Kang, Myungshim and Smith, Paul E
Nano Letters, vol. 8, (no. 4), pp. 1229-1236, 2008. | Journal Article
 
On the Kirkwood-Buff inversion procedure.
Smith, Paul E
The Journal of chemical physics, vol. 129, (no. 12), pp. 124509, 2008/Sep/28. | Journal Article
 
On the theory of solute solubility in mixed solvents.
Smith, Paul E and Mazo, Robert M
The journal of physical chemistry. B, vol. 112, (no. 26), pp. 7875-84, 2008/Jul/3. | Journal Article
 
Recent applications of Kirkwood-Buff theory to biological systems.
Pierce, Veronica⋅Kang, Myungshim⋅Aburi, Mahalaxmi⋅Weerasinghe, Samantha and Smith, Paul E
Cell biochemistry and biophysics, vol. 50, (no. 1), pp. 1-22, 2008. | Journal Article
 
Theory and computer simulation of solute effects on the surface tension of liquids.
Chen, Feng and Smith, Paul E
The journal of physical chemistry. B, vol. 112, (no. 30), pp. 8975-84, 2008/Jul/31. | Journal Article
2007
Simulated surface tensions of common water models.
Chen, Feng and Smith, Paul E
The Journal of chemical physics, vol. 126, (no. 22), pp. 221101, 2007/Jun/14. | Journal Article
2006
A Kirkwood-Buff derived force field for amides
Kang, Myungshim and Smith, Paul E
Journal of Computational Chemistry, vol. 27, (no. 13), pp. 1477, Oct 2006. | Journal Article
 
Chemical Potential Derivatives and Preferential Interaction Parameters in Biological Systems from Kirkwood-Buff Theory
Smith, Paul E
Biophysical Journal, vol. 91, (no. 3), pp. 849-56, Aug 1, 2006. | Journal Article
 
Equilibrium dialysis data and the relationships between preferential interaction parameters for biological systems in terms of Kirkwood-Buff integrals.
Smith, Paul E
The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, vol. 110, (no. 6), pp. 2862-8, 2006/Feb/16. | Journal Article
 
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 W
Journal of the American Chemical Society, vol. 128, (no. 5), pp. 1633-8, 2006/Feb/8. | Journal Article
2005
A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions.
Weerasinghe, Samantha and Smith, Paul E
The journal of physical chemistry. B, vol. 109, (no. 31), pp. 15080-6, 2005/Aug/11. | Journal Article
 
Protein volume changes on cosolvent denaturation.
Smith, Paul E
Biophysical chemistry, vol. 113, (no. 3), pp. 299-302, 2005/Mar/1. | Journal Article
2004
A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions.
Weerasinghe, Samantha and Smith, Paul E
The Journal of chemical physics, vol. 121, (no. 5), pp. 2180-6, 2004/Aug/1. | Journal Article
 
Modeling and simulation of the human delta opioid receptor.
Aburi, Mahalaxmi and Smith, Paul E
Protein science : a publication of the Protein Society, vol. 13, (no. 8), pp. 1997-2008, 2004/Aug. | Journal Article
2003
The Role of the Unfolded State in Hairpin Stability
Lei, Hongxing and Smith, Paul E
Biophysical Journal, vol. 85, (no. 6), pp. 3513-20, Dec 2003. | Journal Article
2002
A conformational analysis of leucine enkephalin as a function of pH.
Aburi, Mahalaxmi and Smith, Paul E
Biopolymers, vol. 64, (no. 4), pp. 177-88, 2002/Aug/5. | Journal Article
 
A structurally conserved water molecule in Rossmann dinucleotide-binding domains.
Bottoms, Christopher A⋅Smith, Paul E and Tanner, John J
Protein science : a publication of the Protein Society, vol. 11, (no. 9), pp. 2125-37, 2002/Sep. | Journal Article
2000
Conformations of nicotinamide adenine dinucleotide (NAD(+)) in various environments.
Smith, Paul E and Tanner, John J
Journal of molecular recognition : JMR, vol. 13, (no. 1), pp. 27-34, 2000 Jan-Feb. | Journal Article
 
Residence times of water molecules in the hydration sites of myoglobin.
Makarov, V A⋅Andrews, B K⋅Smith, Paul E and Pettitt, B. M
Biophysical journal, vol. 79, (no. 6), pp. 2966-74, 2000/Dec. | Journal Article
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. M
Biophysical chemistry, vol. 78, (no. 1-2), pp. 113-26, 1999/Apr/5. | Journal Article
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 M
Biophysical journal, vol. 74, (no. 1), pp. 413-21, 1998/Jan. | Journal Article