Papers


	1. ``Adsorption and solvation of ethanol at the water liquid-vapor interface: A molecular dynamics study'', M. A. Wilson and A. Pohorille, J. Phys. Chem., 101, 3130-3135 (1997). 2. ``Interactions of anesthetics with the water-hexane interface. A molecular dynamics study'', C. Chipot, M. A. Wilson and A. Pohorille, J. Phys. Chem., 101, 782-791 (1997). 3. ``Interaction of Alcohols and Anesthetics with the Water-Hexane Interface: a Molecular Dynamics Study'', A. Pohorille, M. A. Wilson and C. Chipot, Prog. Colloid Polym. Sci., 103 29-40 (1997). 4. ``Structure and Dynamics of Small Peptides at Aqueous Interfaces. A Multi-nanosecond Molecular Dynamics Study'', C. Chipot and A. Pohorille, J. Mol. Struct. (THEOCHEM), 398 529-535 (1997). 5. ``Conformational equilibria of terminally blocked single amino acids at the water-hexane interface. A molecular dynamics study'', C. Chipot and A. Pohorille, J. Phys. Chem., 102 281-290 (1997). 6. ``Hypothesis: inhaled anesthetics produce immobility and amnesia by different mechanisms at different sites'', E. I. Eger 2nd, D. D. Koblin, R. A. Harris, J. J. Kendig, A. Pohorille, M. J. Halsey and J. R. Trudell, Anesth. Analg84 915-918 (1997). 7. ``Transient cavities in liquids and the nature of the hydrophobic effect'', A. Pohorille, Polish J. Chem., 72 1680-1690 (1998) 8. ``The development/application of a ``minimalist'' organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimantal data'', P. Kollman, R. Dixon, W. Cornell, T. Fox, C. Chipot and A. Pohorille, in Computer simulation of biomolecular systems: Theoretical and experimental applications (Van Gunsteren, W. F. and Weiner, P. K., eds.), Escom, The Netherlands, 1997, pp 83-96. 9. ``Concentrations of anesthetics across the water-membrane interface; the Meyer-Overton hypothesis revisited'', A. Pohorille, M. A. Wilson, M. H. New, and C. Chipot, Toxicology Lett. 101 421-430 (1998). 10. ``Phenomena at aqueous interfaces'', A. Pohorille, The Encyclopedia of Computational Chemistry, Schleyer, P. v. R.; Allinger, N. L., Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998, pp. 30-44. 11. ``Folding and translocation of the undecamer of poly-L-leucine across the water-hexane interface'', C. Chipot and A. Pohorille, J. Am. Chem.Soc., 120 11912-11924 (1998). 12. ``Minimum Alveolar Anesthetic Concentration of Fluorinated Alkanols in Rats: Relevance to Theories of Narcosis'', E. I. Eger, P. Ionescu, M. J. Laster, D. Gong, T. Hudlicky, J. J. Kendig, R. A. Harris, J. R. Trudell and A. Pohorille, Anesth. Analg 88 867-76 (1999). 13. ``Insights from Computer Simulations into the Interaction of Small Molecules with Lipid Bilayers'', A. Pohorille, M. H. New, K. Schweighofer and M. A. Wilson, Curr. Topics in Membranes 48, 49-76 (1999). 14. ``Interactions of Small Molecules and Peptides in Membranes'', A. Pohorille, M. A. Wilson, C. Chipot, M. H. New and K. Schweighofer, in Computational Molecular Biology, (J. Leszczynski, Ed.), Elsevier, Amsterdam, 1999, pp 485-536. 15. ``Hypothesis: volatile anesthetics produce immobility by acting on two sites approximately five carbon atoms apart'', E. I. Eger 2nd, M. J. Halsey, R. A. Harris, D. D. Koblin, A. Pohorille, J. C. Sewell, J. M. Sonner and J. R. Trudell, Anesth. Analg 88, 1395-1400 (1999). 16. {Postscript file translation pending.} ``Early Events in the Folding of an Amphiphatic Peptide: A Multi-nanosecond Molecular Dynamics Study'', C. Chipot, B. Maigret and A. Pohorille, Proteins: Structure, Function, Genetics, in press. 17. ``Computer Simulation of Ion Channel gating: the M₂ Channel of Influenza-A Virus in a Lipid Bilayer'', Biophys. J., 78, 150-163, 2000. 18. ``An Inherited Efficiencies Model of Non-genomic Evolution'', M. H. New and A. Pohorille, Simulation Theory and Practice, 8, 199-208, 2000. 19. ``Electrostatic Properties of Aqueous Interfaces Probed by Small Solutes'', Andrew Pohorille, Michael A. Wilson and Karl Schweighofer, in Simulation and Theory of Electrostatic Interactions in Solution, Pratt, L. R. and Hummer, G., Eds., AIP, in press. 20. ``Models of Protocellular Structures. Functions and Evolution'', Andrew Pohorille and Michael H. New, Proceedings of Rencontres de Blois ``Frontiers of Life'', June 15-July 1, 2000 (Chateau de Blois, France), submitted. Selected previous papers: 1. ``An information theory model of hydrophobic interactions'', G. Hummer, S. Garde, A. E. Garcia, A. Pohorille and L. R. Pratt, Proc. Natl. Acad. Sci. USA, 93, 8951-8955 (1996). 2. ``Mechanism of unassisted ion transport across membrane bilayers'', M. A. Wilson and A. Pohorille, J. Am. Chem. Soc., 118, 6580-6587 (1996). 3. ``Excess chemical potential of small solutes across water-membrane and water-hexane interfaces'', A. Pohorille and M. A. Wilson, J. Chem. Phys. 104, 3760-3773 (1996). 4. `` Molecular modeling of protocellular functions'', A. Pohorille, C. Chipot, M. H. New and M. A. Wilson in Pacific Symposium on Biocomputing, L. Hunter and T. E. Klein, eds., World Scientific, Singapore, 1996, pp. 550-569. 5. ``Molecular dynamics studies of simple membrane-water interfaces: structure and functions in the beginnings of cellular life'', A. Pohorille and M. A. Wilson, Origins of Life and Evolution of Biosphere 25, 21-46 (1995). 6. ``Probing the structure of prebiotic ice'', M. A. Wilson, A. Pohorille, P. Jenniskens and D. Blake, Origins of Life and Evolution of Biosphere, 25, 3-19 (1995). 7. ``Molecular dynamics of a water - lipid bilayer interface'', M. A. Wilson and A. Pohorille, J. Am. Chem. Soc. 116, 1490-1501, (1994). 8. ``Molecular structure of aqueous interfaces'', A. Pohorille and M. A. Wilson, J. Mol. Struct. (THEOCHEM), 284 271-298 (1993). 9. ``Theory of hydrophobicity: transient cavities in molecular liquids'', L. R. Pratt and A. Pohorille Proc. Natl. Acad. Sci., 89 2995-2999 (1992). 10. ``Isomerization reactions at aqueous interfaces'', A. Pohorille and M. A. Wilson, in Proceedings on the 26 Jerusalem Symposium on Quantum Chemistry and Biochemistry, Reaction Dynamics in Clusters and Condensed Phases, B. Pullman and R. Levine, eds., Kluwer, Dordrecht, 1994, pp 207-226. 11. ``High-density amorphous ice, the frost on interstellar grains'', P. Jenniskens, D. F. Blake, M. A. Wilson, and A. Pohorille, Astrophys. J., 455, 389-401 (1995).