Dr. Latour's Biomolecular Modeling Lab

Publications

1. Latour R.A. Jr. and Rini C.J., Theoretical analysis of adsorption thermodynamics for hydrophobic peptide residues on SAM surfaces of varying functionality, Journal of Biomedical Materials Research, 60: 564-577 (2002). More...

2. Latour R.A. Jr. and Hench L.L., A theoretical analysis of the thermodynamic contributions for the adsorption of individual protein residues on functionalized surfaces, Biomaterials, 23: 4633-4648 (2002). More...

3. Basalyga D.M. and Latour R.A. Jr., Theoretical analysis of adsorption thermodynamics for charged peptide residues on SAM surfaces of varying functionality, Journal of Biomedical Materials Research, 64A: 120-130 (2003). More...

4. Wilson K., Stuart S.J., Garcia A., and Latour R.A., A molecular modeling study of the effect of surface chemistry on the adsorption of a fibronectin fragment spanning the 7-10th type III repeats, Journal of Biomedical Materials Research, 69A: 686-698 (2004). More...

5. Agashe M., Raut V., Stuart S.J., and Latour R.A., Molecular simulation to characterize the adsorption behavior of a fibrinogen gamma-chain fragment, Langmuir, 21: 1103-1117 (2005). More...

6. Raut V.P., Agashe M.A., Stuart S.J. Latour R.A., Molecular dynamics simulations of peptide–surface interactions, Langmuir, 21: 1629-1639 (2005). [Correction, Fig. 11, Langmuir 22: 2402 (2006).] More...

7. Sun Y., Welsh W.J., and Latour R.A., Prediction of the orientations of adsorbed protein using an empirical energy function with implicit solvation, Langmuir, 21: 5616-5626 (2005). More...

8. Latour R.A., Thermodynamic perspectives on the molecular mechanisms providing protein adsorption resistance that include protein–surface interactions, J. Biomed. Mater. Res., 78A: 843-854 (2006). More...

9. Sun Y. and Latour R.A., Comparison of implicit solvent models for the simulation of protein–surface interactions, J. Computational Chemistry, 27: 1908-1922 (2006). More...

10. Sun Y., Dominy B.N., Latour R.A., Comparison of solvation-effect methods for the simulation of peptide interactions with a hydrophobic surface, J. Comput. Chem., 28: 1883-1892 (2007). More...

11. Li X.F., O'Brien C.P., Collier G., Vellore N.A., Wang F., Bruce D.A., Stuart S.J., Latour R.A., An improved replica-exchange sampling method: Temperature intervals with global energy reassignment (TIGER), J. Chem. Phys., 127: article 164116, pg. 1-10 (2007). ** This paper was also selected to be highlighted in the Virtual Journal of Biological Physics Research, Vol. 14, Issue 9, Statistical and Nonlinear Physics Section, Nov. 1, 2007. More...

12. Wang F., Stuart S.J., and Latour R.A., Calculation of adsorption free energy for solute–surface interactions using biased replica-exchange molecular dynamics, Biointerphases, 3: 9 - 18 (2008). More...

13. Latour R.A., Molecular dynamics simulation of protein–surface interactions: Benefits, problems, solutions, and future directions, Biointerphases, 3: FC2 - FC12 (2008). More...

14. O'Brien C.P, Stuart S.J., Bruce D.A., and Latour R.A., Modeling of peptide adsorption interactions with a poly(lactic acid) surface, Langmuir, 24: 14115-14124 (2008). More...

15. Li X., Stuart S.J., Latour R.A., TIGER2: An improved algorithm for temperature intervals with global exchange of replicas, J. Chem. Phys., 130: article 174106, pg. 1-9 (2009). ** This paper was also selected to be highlighted in the Virtual Journal of Biological Physics Research, May 15, 2009 issue. More...

16. Li, X., Latour R.A., A systematic procedure to build a relaxed dense-phase atomistic representation of a complex amorphous polymer using a coarse-grained modeling approach, Polymer, 50: 4139-4149 (2009). More...

17. Collier G., Vellore N.A., Stuart S.J., and Latour R.A., Development of molecular simulation methods to accurately represent protein–surface interactions: Methods assessment for the calculation of electrostatic effects, Biointerphases, 4: 57-64 (2009). More...

18. Apte J.S., Collier G., Latour R.A., Gamble L.J., Castner D.G., XPS and ToF-SIMS investigation of alpha-helical and beta-strand peptide adsorption onto SAMs, Langmuir, 26: 3423-3432 (2010). More...

19. Vellore N.A., Yancey J., Collier G., Stuart S.J., and Latour R.A., Assessment of the transferability of a protein force field for the simulation of peptide–surface interactions, Langmuir, 26: 7396-7404 (2010). More...

20. Li X. and Latour R.A., The TIGER2 empirical accelerated sampling method: Parameter sensitivity and extension to a complex molecular system, J. Comput. Chem., 32: 1091-1100 (2010). More...

21. Yancey J.A., Vellore N.A., Collier G., Stuart S.J., and Latour R.A., Development of molecular simulation methods to accurately represent protein–surface interactions: The effect of pressure and its determination for a system with constrained atoms, Biointerphases, 5(3): 85-95 (2010). More...

22. Collier G., Vellore N.A., Yancey J.A., Stuart S.J., and Latour R.A., Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces, Biointerphases, 7(24): 1-19 (2012). More...

23. Biswas P.K., Vellore N.A., Yancey J.A., Kucukkal T.G., Collier C., Brooks B.R., Stuart S.J., and Latour R.A., Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior, J. Comput. Chem., (2012). More...

24. Snyder J.A., Abramyan T.A, Yancey J.A., Thyparambil A.A., Wei Y., Stuart S.J., and Latour R.A., Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass, Biointerphases, 7(56) (2012). More...

25. Latour R.A., Perspectives on the simulation of protein–surface interactions using empirical force field methods, Colloids and Surfaces B: Biointerfaces, 124: 25-37 (2014). More...

26. Abramyan T.M., Snyder J.A., Yancey J.A., Thyparambil A.A., Wei Y., Stuart S.J., Latour R.A., Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene, Biointerphases, 10: article 021002 pp. 1-11 (2015). More...

 

Book Chapters

1. R.A. Latour, Biomaterials: Protein–surface interactions, in The encyclopedia of biomaterials and bioengineering, 2nd Edition, G.E. Wnek and G.L. Bowlin (eds.), Informa Healthcare, Vol. 1, pp. 270-284 (2008). More...

2. R.A. Latour, Molecular simulation of protein–surface interactions, in Biological interactions on materials surfaces: Understanding and controlling protein, cell, and tissue responses, Chapter 4, R. Bizios and D.A. Puleo (eds), Springer, New York, NY, pp. 69-95 (2009). More...

3. R.A. Latour, Molecular simulation methods to study protein adsorption behavior at the atomic level, in Comprehensive biomaterials, Ducheyne, Hutmacher, Kirkpatrick, and Healy (eds), Elsevier Ltd., Oxford, UK, invited chapter contribution, Vol. 3, pp. 171-192 (2011). More...

4. T. Abramyan, G. Collier, T.G. Kucukkal, X. Li, J.A. Snyder, A.A. Thyparambil, N.A. Vellore, Y. Wei, J.A. Yancey, S.J. Stuart, R.A. Latour, Understanding protein–surface interactions at the atomistic level through the synergistic development of experimental and molecular simulation methods, Proteins at Interfaces III State of the Art, ACS Symposium Series, pp. 197-228 (2012). More...

5. X. Li and R.A. Latour, Computational methods for the molecular simulation of protein–surface interactions, in Computational Bioengineering, Chapter 12, G. Zhang (ed), CRC/Taylor & Francis, 2015, pp. 293-325. More...