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 TDani, Raj KKang, MyungshimPavlenok, MikhailChikan, ViktorSmith, Paul ENiederweis, 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, MausamDani, Raj KBossmann, StefanChikan, ViktorKang, 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, VeronicaKang, MyungshimAburi, MahalaxmiWeerasinghe, 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 APajewski, RobertAburi, MahalaxmiSmith, Paul EPrakash, OmTomich, 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 ASmith, 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 AAndrews, B KSmith, 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 VPerkyns, J SBlatt, H DSmith, 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, LMatthews, K SSmith, Paul E and Pettitt, B M
Biophysical journal, vol. 74, (no. 1), pp. 413-21, 1998/Jan. | Journal Article