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# Line 1582 | Line 1582 | on Foundations of Computer Science},
1582  
1583   @Article{venable00,
1584    author =       {R.~M. Venable and B.~R. Brooks and R.~W. Pastor},
1585 <  title =        {MOlecular dynamics simulations of gel ($L_{\betaI}$) phase lipid bilayers in constant pressure and constant surface area ensembles},
1585 >  title =        {Molecular dynamics simulations of gel ($L_{\beta I}$) phase lipid bilayers in constant pressure and constant surface area ensembles},
1586    journal =      jcp,
1587    year =         2000,
1588    volume =       112,
# Line 1592 | Line 1592 | on Foundations of Computer Science},
1592  
1593   @Article{lindahl00,
1594    author =       {E. Lindahl and O. Edholm},
1595 <  title =        {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamicxs simulations},
1595 >  title =        {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations},
1596    journal =      {Biophysical Journal},
1597    year =         2000,
1598    volume =       79,
# Line 1697 | Line 1697 | on Foundations of Computer Science},
1697  
1698  
1699   @Article{pearlman:1995,
1700 <  author =       {David~A. Pearlman and David~A. Case and James~W. Caldwell andWilson~S. Ross and Thomas~E. Cheatham~III, and Steve DeBolt and David Ferguson, and George Seibel and Peter Kollman},
1700 >  author =       {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. Cheatham~III and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman},
1701    title =        {{\sc amber}, a package of computer programs for applying molecular mechanics. normal mode analysis, molecular dynamics, and free energy calculations to simulate the structural and energetic properties of molecules},
1702    journal =      {Computer Physics Communications},
1703    year =         1995,
1704    volume =       91,
1705    pages =        {1-41}
1706 + }
1707 +
1708 + @Book{Goldstein01,
1709 +  author =       {H. Goldstein and C. Poole and J. Safko},
1710 +  title =        {Classical Mechanics},
1711 +  publisher =    {Addison Wesley},
1712 +  year =         2001,
1713 +  address =      {San Francisco},
1714 +  edition =      {3rd}
1715 + }
1716 +
1717 + @Article{Gezelter04,
1718 +  author =       {C.~J. Fennell and J.~D. Gezelter},
1719 +  title =        {On the temperature dependent properties of the soft sticky
1720 +                  dipole (SSD) and related single point water models},
1721 +  journal =      {Submitted for Publication},
1722 +  year =         2004,
1723 +  volume =       ?,
1724 +  pages =        {?},
1725 + }
1726 +
1727 + @Article{Bratko85,
1728 +  author =       {D. Bratko and L. Blum and A. Luzar},
1729 +  title =        {A simple model for the intermolecular potential of water},
1730 +  journal =      jcp,
1731 +  year =         1985,
1732 +  volume =       83,
1733 +  number =       12,
1734 +  pages =        {6367-6370}
1735 + }
1736 +
1737 + @Article{Bratko95,
1738 +  author =       {L. Blum and F. Vericat and D. Bratko},
1739 +  title =        {Towards an analytical model of water: The octupolar model},
1740 +  journal =      jcp,
1741 +  year =         1995,
1742 +  volume =       102,
1743 +  number =       3,
1744 +  pages =        {1461-1462}
1745 + }
1746 +
1747 + @Article{Ichiye03,
1748 +  author =       {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks
1749 +                  and T. Ichiye},
1750 +  title =        {A temperature of maximum density in soft sticky dipole
1751 +                  water},
1752 +  journal =      cpl,
1753 +  year =         2003,
1754 +  volume =       376,
1755 +  pages =        {646-652},
1756 + }
1757 +
1758 +
1759 + @Article{Soper86,
1760 +  author =       {A.~K. Soper and M.~G. Phillips},
1761 +  title =        {A new determination of the structure of water at 298K},
1762 +  journal =      cp,
1763 +  year =         1986,
1764 +  volume =       107,
1765 +  number =       1,
1766 +  pages =        {47-60},
1767 + }
1768 +
1769 + @Article{plimpton95,
1770 +  author =       {S. Plimpton},
1771 +  title =        {Fast Parallel Algorithms for Short-Range Molecular Dymanics},
1772 +  journal =      jcompp,
1773 +  year =         1995,
1774 +  volume =       117,
1775 +  pages =        {1-19}
1776 + }
1777 +
1778 + @Article{plimpton93,
1779 +  author =       {S.~J. Plimpton and B.~A. Hendrickson},
1780 +  title =        {Parallel Molecular Dynamics with the Embedded Atom Method},
1781 +  journal =      {MRS Proceedings},
1782 +  year =         1993,
1783 +  volume =       291,
1784 +  pages =        37
1785 + }
1786 +
1787 +
1788 + @Article{Ercolessi02,
1789 +  author =       {U. Tartaglino and E. Tosatti and D. Passerone and F. Ercolessi},
1790 +  title =        {Bending strain-driven modification of surface resconstructions: Au(111)},
1791 +  journal =      prb,
1792 +  year =         2002,
1793 +  volume =       65,
1794 +  pages =        241406
1795 + }
1796 +
1797 + @Article{Ercolessi88,
1798 +  author =       {F. Ercolessi  and M. Parrinello  and E. Tosatti},
1799 +  title =        {Simulation of Gold in the Glue Model.},
1800 +  journal =      {Philosophical Magazine A},
1801 +  year =         1988,
1802 +  volume =       58,
1803 +  pages =        {213-226}
1804 + }
1805 +
1806 + @Article{Finnis84,
1807 +  author =       {M.~W Finnis and J.~E. Sinclair },
1808 +  title =        {A Simple Empirical N-Body Potential for Transition-Metals},
1809 +  journal =      {Phil. Mag. A},
1810 +  year =         1984,
1811 +  volume =       50,
1812 +  pages =        {45-55}
1813 + }
1814 +
1815 + @Article{FBD86,
1816 +  author =       {S.~M. Foiles and M.~I. Baskes and M.~S. Daw},
1817 +  title =        {Embedded-atom-method functions for the fcc metals
1818 + Cu, Ag, Au,Ni,Pd,Pt, and their alloys},
1819 +  journal =      prb,
1820 +  year =         1986,
1821 +  volume =       33,
1822 +  number =       12,
1823 +  pages =        7983
1824 + }
1825 +
1826 + @Article{johnson89,
1827 +  author =       {R.~A. Johnson},
1828 +  title =        {Alloy models with the embedded-atom method},
1829 +  journal =      prb,
1830 +  year =         1989,
1831 +  volume =       39,
1832 +  number =       17,
1833 +  pages =        12554
1834 + }
1835 +
1836 + @Article{Laird97,
1837 +  author =       {A. Kol and B.~B. Laird and B.~J. Leimkuhler},
1838 +  title =        {A symplectic method for rigid-body molecular simulation},
1839 +  journal =      jcp,
1840 +  year =         1997,
1841 +  volume =       107,
1842 +  number =       7,
1843 +  pages =        {2580-2588}
1844 + }
1845 +
1846 +
1847 + @Article{hoover85,
1848 +  author =       {W.~G. Hoover},
1849 +  title =        {Canonical dynamics: Equilibrium phase-space distributions},
1850 +  journal =      pra,
1851 +  year =         1985,
1852 +  volume =       31,
1853 +  pages =        1695
1854 + }
1855 +
1856 + @Article{Roux91,
1857 +  author =       {B. Roux and M. Karplus},
1858 +  title =        {Ion transport in a Gramicidn-like channel: dynamics and mobility},
1859 +  journal =      jpc,
1860 +  year =         1991,
1861 +  volume =       95,
1862 +  number =       15,
1863 +  pages =        {4856-4868}
1864 + }
1865 +
1866 +
1867 + @Article{Marrink94,
1868 +  author =       {S.~J Marrink and H.~J.~C. Berendsen},
1869 +  title =        {Simulation of water transport through a lipid membrane},
1870 +  journal =      jpc,
1871 +  year =         1994,
1872 +  volume =       98,
1873 +  number =       15,
1874 +  pages =        {4155-4168}
1875 + }
1876 +
1877 +
1878 + @Article{Daw89,
1879 +  author =       {Murray~S. Daw},
1880 +  title =        {Model of metallic cohesion: The embedded-atom method},
1881 +  journal =      {Physical Review B},
1882 +  year =         1989,
1883 +  volume =       39,
1884 +  pages =        {7441-7452}
1885   }
1886  
1887 + @InBook{voter,
1888 +  author =       {A.~F. Voter},
1889 +  editor =       {J.~H. Westbrook and R.~L. Fleischer},
1890 +  title =        {Intermetallic Compounds: Principles and Practice},
1891 +  chapter =      4,
1892 +  publisher =    {John Wiley and Sons Ltd},
1893 +  year =         1995,
1894 +  volume =       1,
1895 +  pages =        77
1896 + }
1897 +
1898 + @Article{marrink:2002,
1899 +  author =       {S.~J. Marrink and D.~P. Teileman},
1900 +  title =        {Molecular Dynamics Simulation of Spontaneous Membrane Fusion during a Cubic-Hexagonal Phase Transition},
1901 +  journal =      {Biophysical Journal},
1902 +  year =         2002,
1903 +  volume =       83,
1904 +  pages =        {2386-2392}
1905 + }
1906 +
1907 + @Article{sum:2003,
1908 +  author =       {A.~K. Sum and J.~J. de~Pablo},
1909 +  title =        {Molecular Simulation Study on the influence of Dimethylsulfoxide on the structure of Phospholipid Bilayers},
1910 +  journal =      {Biophysical Journal},
1911 +  year =         2003,
1912 +  volume =       85,
1913 +  pages =        {3636-3645}
1914 + }
1915 +
1916 + @Article{gomez:2003,
1917 +  author =       {J.~D. Faraldo-Gomez and G.~R. Smith and M.~S.P. Sansom},
1918 +  title =        {Setting up and optimization of membrane protein simulations},
1919 +  journal =      {Eur. Biophys. J.},
1920 +  year =         2002,
1921 +  volume =       31,
1922 +  pages =        {217-227}
1923 + }
1924 +
1925 +
1926 + @Article{smondyrev:1999,
1927 +  author =       {A.~M. Smondyrev and M.~L. Berkowitz},
1928 +  title =        {Molecular Dynamics Simulation of DPPC Bilayer in DMSO},
1929 +  journal =      {Biophysical Journal},
1930 +  year =         1999,
1931 +  volume =       76,
1932 +  pages =        {2472-2478}
1933 + }
1934 +
1935 + @Article{nina:2002,
1936 +  author =       {M. Nina and T. Simonson},
1937 +  title =        {Molecular Dynamics of the $\text{tRNA}^{\text{Ala}}$ Acceptor Stem: Comparison between Continuum Reaction Field and Particle-Mesh Ewald Electrostatic Treatments},
1938 +  journal =      {J. Phys. Chem. B},
1939 +  year =         2002,
1940 +  volume =       106,
1941 +  pages =        {3696-3705}
1942 + }
1943 +
1944 + @Article{norberg:2000,
1945 +  author =       {J. Norberg and L. Nilsson},
1946 +  title =        {On the truncation od Long-Range Electrostatic Interactions in DNA},
1947 +  journal =      {Biophysical Journal},
1948 +  year =         2000,
1949 +  volume =       79,
1950 +  pages =        {1537-1553}
1951 + }
1952 +
1953 + @Article{patra:2003,
1954 +  author =       {M. Patra and M. Karttunen and M.~T. Hyv\"{o}nen and E. Falk and P. Lindqvist and I. Vattulainen},
1955 +  title =        {Molecular Dynamics Simulations of Lipid Bilayers: Major Artifacts Due to Truncating Electrostatic Interactions},
1956 +  journal =      {Biophysical Journal},
1957 +  year =         2003,
1958 +  volume =       84,
1959 +  pages =        {3636-3645}
1960 + }
1961 +
1962 + @Article{marrink04,
1963 +  author =       {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark},
1964 +  title =        {Coarse Grained Model for Semiquantitative Lipid Simulations},
1965 +  journal =      {J. Phys. Chem. B},
1966 +  year =         2004,
1967 +  volume =       108,
1968 +  pages =        {750-760}
1969 + }
1970 +
1971 + @Article{andersen83,
1972 +  author =       {H.~C. Andersen},
1973 +  title =        {Rattle: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
1974 +  journal =      {Journal of Computational Physics},
1975 +  year =         1983,
1976 +  volume =       52,
1977 +  pages =        {24-34}
1978 + }
1979 +
1980 + @Article{hura00,
1981 +  author =       {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon},
1982 +  title =        {A high-quality x-ray scattering experiment on liquid water at ambient conditions},
1983 +  journal =      {J. Chem. Phys.},
1984 +  year =         2000,
1985 +  volume =       113,
1986 +  pages =        {9140-9148}
1987 + }
1988 +
1989 +
1990 + @Article{ryckaert77,
1991 +  author =       {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
1992 +  title =        {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes},
1993 +  journal =      {Journal of Computational Physics},
1994 +  year =         1977,
1995 +  volume =       23,
1996 +  pages =        {327-341}
1997 + }
1998 +
1999 +
2000 + @InBook{fowles99:lagrange,
2001 +  author =       {G.~R. Fowles and G.~L. Cassiday},
2002 +  title =        {Analytical Mechanics},
2003 +  chapter =      10,
2004 +  publisher =    {Saunders College Publishing},
2005 +  year =         1999,
2006 +  edition =      {6th}
2007 + }
2008 +
2009 + @Article{petrache00,
2010 +  author =       {H.~I. Petrache and S.~W. Dodd and M.~F. Brown},
2011 +  title =        {Area per Lipid and Acyl Length Distributions in Fluid Phosphatidylcholines Determined by $^2\text{H}$ NMR Spectroscopy},
2012 +  journal =      {Biophysical Journal},
2013 +  year =         2000,
2014 +  volume =       79,
2015 +  pages =        {3172-3192}
2016 + }
2017 +
2018 + @Article{egberts88,
2019 +  author =       {E. Egberts and H.~J.~C. Berendsen},
2020 +  title =        {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail},
2021 +  journal =      {J. Chem. Phys.},
2022 +  year =         1988,
2023 +  volume =       89,
2024 +  pages =        {3718-3732}
2025 + }
2026 +
2027 + @Article{Holz00,
2028 +  author =       {M. Holz and S.~R. Heil and A. Sacco},
2029 +  title =        {Temperature-dependent self-diffusion coefficients of
2030 +                  water and six selected molecular liquids for calibration
2031 +                  in accurate $^1$H NMR PFG measurements},
2032 +  journal =      pccp,
2033 +  year =         2000,
2034 +  volume =       2,
2035 +  pages =        {4740-4742},
2036 + }
2037 +
2038 + @InCollection{zannoni94,
2039 +  author =       {C. Zannoni},
2040 +  title =        {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals},
2041 +  booktitle =    {The Molecular Dynamics of Liquid Crstals},
2042 +  pages =        {139-169},
2043 +  publisher =    {Kluwer Academic Publishers},
2044 +  year =         1994,
2045 +  editor =       {G.~R. Luckhurst and C.~A. Veracini},
2046 +  chapter =      6
2047 + }
2048 +
2049 +
2050 + @Article{melchionna93,
2051 +  author =       {S. Melchionna and G. Ciccotti and B.~L. Holian},
2052 +  title =        {Hoover NPT dynamics for systems varying in shape and size},
2053 +  journal =      {Molecular Physics},
2054 +  year =         1993,
2055 +  volume =       78,
2056 +  pages =        {533-544}
2057 + }
2058 +
2059 + @Article{fennell04,
2060 +  author =       {C.~J. Fennell and J.~D. Gezelter},
2061 +  title =        {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models},
2062 +  journal =      {J. Chem. Phys},
2063 +  year =         {in press 2004}
2064 + }
2065 +

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