trunk/openmdDocs/openmdDoc.bib

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%% http://bibdesk.sourceforge.net/


%% Created for Kelsey Stocker at 2011-05-11 11:18:09 -0400 


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@string{acp = {Adv. Chem. Phys.}}

@string{bj = {Biophys. J.}}

@string{cp = {Chem. Phys.}}

@string{cpc = {Comp. Phys. Comm.}}

@string{cpl = {Chem. Phys. Lett.}}

@string{jacs = {J. Am. Chem. Soc.}}

@string{jcc = {J. Comp. Chem.}}

@string{jcp = {J. Chem. Phys.}}

@string{jml = {J. Mol. Liq.}}

@string{jpc = {J. Phys. Chem.}}

@string{jpca = {J. Phys. Chem. A}}

@string{jpcb = {J. Phys. Chem. B}}

@string{mp = {Mol. Phys.}}

@string{pnas = {Proc. Natl. Acad. Sci. USA}}

@string{pra = {Phys. Rev. A}}

@string{prb = {Phys. Rev. B}}

@string{pre = {Phys. Rev. E}}

@string{prl = {Phys. Rev. Lett.}}

@string{rmp = {Rev. Mod. Phys.}}


@article{Vardeman2011,
        Author = {Vardeman, Charles F. II and Stocker, Kelsey M. and Gezelter, J. Daniel},
        Date-Added = {2011-05-11 11:18:00 -0400},
        Date-Modified = {2011-05-11 11:18:00 -0400},
        Journal = {J. Chem. Theory Comput.},
        Keywords = {Langevin Hull},
        Pages = {834-842},
        Title = {The Langevin Hull: Constant pressure and temperature dynamics for nonperiodic systems},
        Volume = {7},
        Year = {2011},
        Bdsk-File-1 = {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}}

@misc{Qhull,
        Date-Added = {2010-11-24 13:59:33 -0500},
        Date-Modified = {2011-05-11 11:15:50 -0400},
        Note = {Software Library Is Available From the National Science and Technology Research Center for Computation and Visualization of Geometric Structures (The Geometry Center), University of Minnesota. $\mathtt{http://www.qhull.org}$},
        Title = {Qhull},
        Year = 1993}

@article{Sun:2008fk,
        Abstract = {We present an algorithm for carrying out Langevin dynamics simulations on complex rigid bodies by incorporating the hydrodynamic resistance tensors for arbitrary shapes into an advanced rotational integration scheme. The integrator gives quantitative agreement with both analytic and approximate hydrodynamic theories for a number of model rigid bodies and works well at reproducing the solute dynamical properties (diffusion constants and orientational relaxation times) obtained from explicitly solvated simulations. (C) 2008 American Institute of Physics.},
        Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
        Author = {Sun, Xiuquan and Lin, Teng and Gezelter, J. Daniel},
        Date-Added = {2010-11-24 13:59:02 -0500},
        Date-Modified = {2010-11-24 14:02:09 -0500},
        Doi = {DOI 10.1063/1.2936991},
        Isi = {000256936700007},
        Isi-Recid = {171639081},
        Isi-Ref-Recids = {74848920 50663994 119330651 134477260 22939933 131802420 114632880 64190493 55802797 21189309 75892319 21406638 110293282 113408519 96782216 130078852 17359022 100665361 113671463 49951397 123367767 123367728 154386980 102422498 35241737 32391149 6325223 127852571 58929276 95157449 32334819 42562624 12736689 163240533 130556111 122778971 51825394 49588888 145030437 101277182 101670714 148588118 73818708 142688207 124629108 18817706 103995016 149522882 50793 47098 109491995 114073447 108180005 98728780 112132273 16915130 31384453 127055599 134786719 131544581 124299358 1555937 160750161 85968524 163240534},
        Journal = {J. Chem. Phys.},
        Number = {23},
        Pages = {234107},
        Publisher = {AMER INST PHYSICS},
        Times-Cited = {2},
        Title = {Langevin dynamics for rigid bodies of arbitrary shape},
        Volume = {128},
        Year = {2008},
        Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000256936700007}}

@article{Kohanoff:2005qm,
        Abstract = {We present a method for simulating clusters or, molecules subjected to an external pressure, which is exerted by a pressure-transmitting medium. It is based on the canoninical Langevin thermostat, but extended in such a way that the Brownian forces are allowed to operate only from the region exterior to the cluster. We show that the frictional force of the Langevin thermostat is linked to the pressure of the reservoir in a unique way, and that this property manifests itself when the particle it acts upon is not pointlike but has finite dimensions. By choosing appropriately the strength of the random forces and the friction coefficient, both temperature and pressure can be controlled independently. We illustrate the capabilities of this new method by calculating the compressibility of small gold clusters under pressure.},
        Address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY},
        Author = {Kohanoff, J and Caro, A and Finnis, MW},
        Date = {SEP 5 2005},
        Date-Added = {2010-11-22 12:24:56 -0500},
        Date-Modified = {2010-11-22 12:24:56 -0500},
        Doi = {DOI 10.1002/cphc.200400607},
        Journal = {ChemPhysChem},
        Keywords = {clusters; gold; nanostructures; pressure; simulation},
        Pages = {1848-1852},
        Publisher = {WILEY-V C H VERLAG GMBH},
        Timescited = {2},
        Title = {An isothermal-isobaric Langevin thermostat for simulating nanoparticles under pressure: Application to Au clusters},
        Volume = {6},
        Year = {2005},
        Bdsk-Url-1 = {http://dx.doi.org/10.1002/cphc.200400607}}

@article{springerlink:10.1007/BF00977785,
        Author = {Lee, D. T. and Schachter, B. J.},
        Date-Added = {2010-11-22 12:24:49 -0500},
        Date-Modified = {2010-11-22 12:24:49 -0500},
        Issn = {0885-7458},
        Issue = {3},
        Journal = {International Journal of Parallel Programming},
        Keyword = {Computer Science},
        Note = {10.1007/BF00977785},
        Pages = {219-242},
        Publisher = {Springer Netherlands},
        Title = {Two algorithms for constructing a Delaunay triangulation},
        Url = {http://dx.doi.org/10.1007/BF00977785},
        Volume = {9},
        Year = {1980},
        Bdsk-Url-1 = {http://dx.doi.org/10.1007/BF00977785}}

@article{delaunay,
        Author = {B. Delaunay},
        Date-Added = {2010-11-22 12:24:45 -0500},
        Date-Modified = {2010-11-22 12:24:45 -0500},
        Journal = {Bull. Acad. Science USSR VII:Class. Sci. Mat. Nat.},
        Pages = {793-800},
        Title = {Sur la sph{\`e}re vide},
        Year = {1934}}

@article{EDELSBRUNNER:1994oq,
        Abstract = {Frequently, data in scientific computing is in its abstract form a finite point set in space, and it is sometimes useful or required to compute what one might call the ''shape'' of the set. For that purpose, this article introduces the formal notion of the family of alpha-shapes of a finite point set in R3. Each shape is a well-defined polytope, derived from the Delaunay triangulation of the point set, with a parameter alpha is-an-element-of R controlling the desired level of detail. An algorithm is presented that constructs the entire family of shapes for a given set of size n in time O(n2), worst case. A robust implementation of the algorithm is discussed, and several applications in the area of scientific computing are mentioned.},
        Address = {1515 BROADWAY, NEW YORK, NY 10036},
        Author = {Edelsbrunner, H and Mucke, E.~P.},
        Date = {JAN 1994},
        Date-Added = {2010-11-22 12:24:34 -0500},
        Date-Modified = {2010-11-22 12:24:34 -0500},
        Journal = {ACM Transactions On Graphics},
        Keywords = {COMPUTATIONAL GRAPHICS; DELAUNAY TRIANGULATIONS; GEOMETRIC ALGORITHMS; POINT SETS; POLYTOPES; ROBUST IMPLEMENTATION; SCIENTIFIC COMPUTING; SCIENTIFIC VISUALIZATION; SIMPLICIAL COMPLEXES; SIMULATED PERTURBATION; 3-DIMENSIONAL SPACE},
        Pages = {43-72},
        Publisher = {ASSOC COMPUTING MACHINERY},
        Timescited = {270},
        Title = {3-DIMENSIONAL ALPHA-SHAPES},
        Volume = {13},
        Year = {1994}}

@article{Barber96,
        Author = {C.~B. Barber and D.~P. Dobkin and H.~T. Huhdanpaa},
        Date-Added = {2010-11-22 12:24:25 -0500},
        Date-Modified = {2010-11-22 12:24:25 -0500},
        Journal = {ACM Trans. Math. Software},
        Pages = {469-483},
        Title = {The Quickhull Algorithm for Convex Hulls},
        Volume = 22,
        Year = 1996}

@book{Schlick2002,
        Address = {Secaucus, NJ, USA},
        Author = {Tamar Schlick},
        Date-Added = {2010-11-22 12:24:11 -0500},
        Date-Modified = {2010-11-22 12:24:11 -0500},
        Isbn = {038795404X},
        Publisher = {Springer-Verlag New York, Inc.},
        Title = {Molecular Modeling and Simulation: An Interdisciplinary Guide},
        Year = {2002}}

@article{GarciadelaTorreJ2002,
        Affiliation = {Departamento de Qu{\'\i}mica F{\'\i}sica, Facultad de Qu{\'\i}mica, Universidad de Murcia, 30071 Murcia, Spain},
        Author = {{Garc\'{i}a de la Torre}, Jose and Carrasco, B.},
        Date-Added = {2010-11-22 12:23:52 -0500},
        Date-Modified = {2010-11-22 12:23:52 -0500},
        Journal = {Biopolymers},
        Number = {3},
        Pages = {163-167},
        Title = {Hydrodynamic Properties of Rigid Macromolecules Composed of Ellipsoidal and Cylindrical Subunits},
        Volume = {63},
        Year = {2002}}

@article{Garcia-de-la-Torre:2001wd,
        Abstract = { The calculation of hydrodynamic and other solution properties of rigid macromolecules, using bead-shell model methodologies, requires the specification of the macromolecular shape in a format that can be interfaced with existing programs for hydrodynamic computations. Here, a procedure is presented for such a structural specification that is applicable to arbitrarily shaped particles. A computer program (), in which the user inserts the code needed to determine the structure, produces an structural file that is interpreted by another program () which is in charge of the computation of properties. As simple and yet illustrative examples we consider two cases: (1) dimeric structures composed of ellipsoidal subunits; and (2) toroidal structures, presenting simple equations that predict the properties of toroids with varying radial ratios.},
        Author = {{Garc\'{i}a de la Torre}, Jose},
        Date-Added = {2010-11-22 12:23:48 -0500},
        Date-Modified = {2010-11-22 12:23:48 -0500},
        Journal = {Biophysical Chemistry},
        Keywords = {Rigid macromolecules; Hydrodynamic properties; Bead-shell model; Three-dimensional structure},
        Number = {3},
        Pages = {265--274},
        Title = {Building hydrodynamic bead-shell models for rigid bioparticles of arbitrary shape},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TFB-44XJKW6-8/1/376af59f3b89aecd8486b1c6186b0953},
        Volume = {94},
        Year = {2001},
        Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/B6TFB-44XJKW6-8/1/376af59f3b89aecd8486b1c6186b0953}}

@article{JoseGarciadelaTorre02012000,
        Abstract = {The solution properties, including hydrodynamic quantities and the radius of gyration, of globular proteins are calculated from their detailed, atomic-level structure, using bead-modeling methodologies described in our previous article (Carrasco and Garcia de la Torre, 1999, Biophys. J. 76:3044-3057). We review how this goal has been pursued by other authors in the past. Our procedure starts from a list of atomic coordinates, from which we build a primary hydrodynamic model by replacing nonhydrogen atoms with spherical elements of some fixed radius. The resulting particle, consisting of overlapping spheres, is in turn represented by a shell model treated as described in our previous work. We have applied this procedure to a set of 13 proteins. For each protein, the atomic element radius is adjusted, to fit all of the hydrodynamic properties, taking values close to 3 A, with deviations that fall within the error of experimental data. Some differences are found in the atomic element radius found for each protein, which can be explained in terms of protein hydration. A computational shortcut makes the procedure feasible, even in personal computers. All of the model-building and calculations are carried out with a HYDROPRO public-domain computer program.
},
        Author = {{Garc\'{i}a de la Torre}, Jose and Huertas, Maria L. and Carrasco, Beatriz},
        Date-Added = {2010-11-22 12:23:36 -0500},
        Date-Modified = {2010-11-22 12:23:36 -0500},
        Eprint = {http://www.biophysj.org/cgi/reprint/78/2/719.pdf},
        Journal = bj,
        Number = {2},
        Pages = {719-730},
        Title = {{Calculation of Hydrodynamic Properties of Globular Proteins from Their Atomic-Level Structure}},
        Url = {http://www.biophysj.org/cgi/content/abstract/78/2/719},
        Volume = {78},
        Year = {2000},
        Bdsk-Url-1 = {http://www.biophysj.org/cgi/content/abstract/78/2/719}}

@article{Fennell06,
        Author = {C.~J. Fennell and J.~D. Gezelter},
        Date-Added = {2008-05-16 10:19:01 -0400},
        Date-Modified = {2008-05-16 10:19:01 -0400},
        Doi = {10.1063/1.2206581},
        Journal = jcp,
        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_PairwiseSummationMethods_06.pdf},
        Number = {23},
        Pages = {234104(12)},
        Rating = {5},
        Read = {Yes},
        Title = {Is the \uppercase{E}wald summation still necessary? \uppercase{P}airwise alternatives to the accepted standard for long-range electrostatics},
        Volume = {124},
        Year = {2006},
        Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2206581}}

@article{Heyes81,
        Author = {D.~M. Heyes},
        Date-Added = {2008-05-16 10:18:50 -0400},
        Date-Modified = {2008-05-16 10:18:50 -0400},
        Journal = jcp,
        Keywords = {Empty Keywords},
        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Heyes_CoulombChargeSpreading_81.pdf},
        Number = {3},
        Pages = {1924-1929},
        Title = {Electrostatic potentials and fields in infinite point charge lattices},
        Volume = {74},
        Year = {1981}}

@article{Jones56,
        Author = {R.~E. Jones and D.~H. Templeton},
        Date-Added = {2008-05-16 10:18:41 -0400},
        Date-Modified = {2008-05-16 10:18:41 -0400},
        Journal = jcp,
        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Jones_ChargeShapeFunctions_56.pdf},
        Number = {5},
        Pages = {1062-1063},
        Title = {Optimum Atomic Shape for \uppercase{B}ertaut Series},
        Volume = {25},
        Year = {1956}}

@book{Allen87,
        Address = {New York},
        Author = {M.~P. Allen and D.~J. Tildesley},
        Date-Added = {2008-05-16 10:18:32 -0400},
        Date-Modified = {2008-05-16 10:18:32 -0400},
        Publisher = {Oxford University Press},
        Title = {Computer Simulations of Liquids},
        Year = 1987}

@article{Wolf99,
        Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
        Date-Added = {2008-05-16 10:18:22 -0400},
        Date-Modified = {2008-05-16 10:18:22 -0400},
        Journal = jcp,
        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/Wolf_electroCorr_99.pdf},
        Number = {17},
        Pages = {8254-8282},
        Rating = {0},
        Read = {No},
        Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise $r^{-1}$ summation},
        Volume = {110},
        Year = {1999}}

@book{Berne90,
        Address = {Malabar, Florida},
        Author = {B.~J. Berne and R. Pecora},
        Publisher = {Robert E. Krieger Publishing Company, Inc.},
        Title = {Dynamic Light Scattering},
        Year = 1990}

@article{Evans77,
        Author = {D.~J. Evans},
        Journal = {Mol. Phys.},
        Pages = {317-325},
        Title = {On the representation of orientation space},
        Volume = 34,
        Year = 1977}

@article{Tuckerman92,
        Author = {M. Tuckerman and B.~J. Berne and G.~J. Martyna},
        Journal = jcp,
        Pages = {1990-2001},
        Title = {Reversible multiple time scale molecular dynamics},
        Volume = 97,
        Year = 1992}

@book{Hansen86,
        Address = {London},
        Author = {J.~P. Hansen and I.~R. McDonald},
        Chapter = 7,
        Pages = {199-206},
        Publisher = {Academic Press},
        Title = {Theory of Simple Liquids},
        Year = 1986}

@article{Angelani98,
        Author = {L. Angelani and G. Parisi and G. Ruocco and G. Viliani},
        Journal = prl,
        Number = 21,
        Pages = {4648-4651},
        Title = {Connected Network of Minima as a Model Glass: Long Time Dynamics},
        Volume = 81,
        Year = 1998}

@article{Stillinger82,
        Author = {F.~H. Stillinger and T.~A. Weber},
        Journal = pra,
        Number = 2,
        Pages = {978-989},
        Title = {Hidden structure in liquids},
        Volume = 25,
        Year = 1982}

@article{Stillinger83,
        Author = {F.~H. Stillinger and T.~A. Weber},
        Journal = pra,
        Number = 4,
        Pages = {2408-2416},
        Title = {Dynamics of structural transitions in liquids},
        Volume = 28,
        Year = 1983}

@article{Weber84,
        Author = {T.~A. Weber and F.~H. Stillinger},
        Journal = jcp,
        Number = 6,
        Pages = {2742-2746},
        Title = {The effect of density on the inherent structure in liquids},
        Volume = 80,
        Year = 1984}

@article{Stillinger85,
        Author = {F.~H. Stillinger and T.~A. Weber},
        Journal = jcp,
        Number = 9,
        Pages = {4767-4775},
        Title = {Inherent structure theory of liquids in the hard-sphere limit},
        Volume = 83,
        Year = 1985}

@article{Stillinger98,
        Author = {S. Sastry and P.~G. Debenedetti and F.~H. Stillinger},
        Journal = {Nature},
        Pages = {554-557},
        Title = {Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid},
        Volume = 393,
        Year = 1998}

@article{Parkhurst75a,
        Author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
        Journal = jcp,
        Number = 6,
        Pages = {2698-2704},
        Title = {Dense liquids. I. The effect of density and temperature on viscosity of tetramethylsilane and benzene-$\mbox{D}_6$},
        Volume = 63,
        Year = 1975}

@article{Parkhurst75b,
        Author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
        Journal = jcp,
        Number = 6,
        Pages = {2705-2709},
        Title = {Dense liquids. II. The effect of density and temperature on viscosity of tetramethylsilane and benzene},
        Volume = 63,
        Year = 1975}

@article{Forester97,
        Author = {T.~R. Forester and W. Smith and J.~H.~R. Clarke},
        Journal = {J. Chem. Soc. - Faraday Transactions},
        Pages = {613-619},
        Title = {Antibiotic activity of valinomycin - Molecular dynamics simulations involving the water/membrane interface},
        Volume = 93,
        Year = 1997}

@article{Tieleman98,
        Author = {D.~P. Tieleman and H.~J.~C. Berendsen},
        Journal = bj,
        Pages = {2786-2801},
        Title = {A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer},
        Volume = 74,
        Year = 1998}

@article{Cascales98,
        Author = {J.~J.~L. Cascales and J.~G.~H. Cifre and J.~G. de~la~Torre},
        Journal = {J. Phys. Chem. B},
        Pages = {625-631},
        Title = {Anaesthetic mechanism on a model biological membrane: A molecular dynamics simulation study},
        Volume = 102,
        Year = 1998}

@article{Bassolino95,
        Author = {D. Bassolino and H.~E. Alper and T.~R. Stouch},
        Journal = {J. Am. Chem. Soc.},
        Pages = {4118-4129},
        Title = {MECHANISM OF SOLUTE DIFFUSION THROUGH LIPID BILAYER-MEMBRANES BY MOLECULAR-DYNAMICS SIMULATION},
        Volume = 117,
        Year = 1995}

@article{Alper95,
        Author = {H.~E. Alper and T.~R. Stouch},
        Journal = {J. Phys. Chem.},
        Pages = {5724-5731},
        Title = {ORIENTATION AND DIFFUSION OF A DRUG ANALOG IN BIOMEMBRANES - MOLECULAR-DYNAMICS SIMULATIONS},
        Volume = 99,
        Year = 1995}

@article{Sok92,
        Author = {R.~M. Sok and H.~J.~C. Berendsen and W.~F. {van~Gunsteren}},
        Journal = {J. Chem. Phys.},
        Pages = {4699-4704},
        Title = {MOLECULAR-DYNAMICS SIMULATION OF THE TRANSPORT OF SMALL MOLECULES ACROSS A POLYMER MEMBRANE},
        Volume = 96,
        Year = 1992}

@article{Rabani99,
        Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
        Journal = prl,
        Pages = {3649},
        Title = {Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using the Cage Correlation Function},
        Volume = 82,
        Year = {1999}}

@article{Rabani97,
        Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
        Journal = {J. Chem. Phys.},
        Pages = {6867-6876},
        Title = {Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations},
        Volume = 107,
        Year = 1997}

@article{Gezelter99,
        Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
        Journal = jcp,
        Pages = 3444,
        Title = {Methods for calculating the hopping rate for orientational and spatial diffusion in a molecular liquid: $\mbox{CS}_{2}$},
        Volume = 110,
        Year = 1999}

@article{Gezelter98a,
        Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
        Journal = jcp,
        Pages = 4695,
        Title = {Response to 'Comment on a Critique of the Instantaneous Normal Mode (INM) Approach to Diffusion'},
        Volume = 109,
        Year = 1998}

@article{Gezelter97,
        Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
        Journal = jcp,
        Pages = 4618,
        Title = {Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?},
        Volume = 107,
        Year = 1997}

@article{Zwanzig83,
        Author = {R. Zwanzig},
        Journal = jcp,
        Pages = {4507-4508},
        Title = {On the relation between self-diffusion and viscosity of liquids},
        Volume = 79,
        Year = 1983}

@article{Zwanzig88,
        Author = {R. Zwanzig},
        Journal = {Proc. Natl. Acad. Sci. USA},
        Pages = 2029,
        Title = {Diffusion in rough potential},
        Volume = 85,
        Year = 1988}

@article{Stillinger95,
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Revision:	3726
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