,
"The Musical Matrix of the Universe" by
Paul Re
Select publications by Dr. Coutsias
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Numerically stable solution to the 6R problem of Inverse Kinematics
Xin Cao, Evangelos A. Coutsias and Sara Pollock,
Advances in Computational Science and Engineering, 2023 doi: 10.3934/acse.2023006
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Crustwater: Modeling Hydrophobic Solvation,
Ajeet Kumar Yadav, Pradipta Bandyopadhyay, Evangelos A. Coutsias, and Ken A. Dill, Journal of Physical Chemistry B, 2022,
https://doi.org/10.1021/acs.jpcb.2c02695
Supplementary information, Crustwater Model of Solvation
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Kinematic Reconstruction of Cyclic Peptides and Protein Backbones
from Partial Data,
Mosavverul Hassan and Evangelos A. Coutsias,
Journal of Chemical Information and Modeling, 2021, 61, 4975 - 5000.
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Protein secondary structure motifs: A kinematic constructiona,
Mosavverul Hassan and Evangelos A. Coutsias,
Journal of Computational Chemistry, 2021, 42, 271 - 292.
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Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4,
Sergei Kotelnikov, Andrey Alekseenko, Cong Liu, Mikhail Ignatov, Dzmitry Padhorny, Emiliano Brini, Mark Lukin, Evangelos Coutsias, Ken A Dill, Dima Kozakov, Journal of Computer-Aided Molecular Design, 34(2),
p.179-189, (2020).
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RMSD and symmetry
Evangelos A. Coutsias and Michael J. Wester,
Journal of Computational Chemistry, 40(15), p.1496-1508 (2019)
https://doi.org/10.1002/jcc.25802
Supplementary Materials
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Laguerre-Intersection method for implicit solvation
Michelle Hatch Hummel, Bihua Yu, Carlos Simmerling and Evangelos A. Coutsias,
International Journal of Computational Geometry and Applications, 28(01), 1-38, (2018).
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Light harvesting for rapid and selective reactions: click chemistry with strain-loadable alkenes
Kamaljeet Singh, Christopher J. Fennell, Evangelos Coutsias, Reza Latifi, Steve Hartson, and Jimmie D. Weaver, Chem, 4(1), 124-137 (2018).
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Characterization of Biomolecular Helices and Their Complementarity Using Geometric Analysis
Kevin Hauser, Y. He, Miguel Garcia-Diaz, Carlos Simmerling and Evangelos A. Coutsias,
Journal of Chemical Information and Modeling, 57(4), 864-874, (2017).
Supplementary Materials
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Accurate de novo design of hyperstable constrained peptides,
Gaurav Bhardwaj, Vikram Khipple Mulligan, Christopher D. Bahl, Jason M. Gilmore,
Peta J. Harvey, Olivier Cheneval, Garry W. Buchko, Surya V.S.R.K. Pulavarti, Quentin
Kaas, Alexander Eletsky, Po-Ssu Huang, William A. Johnsen, Per Greisen, Gabriel J.
Rocklin1, Yifan Song, Thomas W. Linsky, Andrew Watkins, Stephen A. Rettie,
Xianzhong Xu, Lauren P. Carter, Richard Bonneau, James M. Olson, Evangelos
Coutsias, Colin E. Correnti, Thomas Szyperski, David J. Craik, and David Baker
Nature (2016) doi:10.1038/nature19791
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Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics
Free access from Pubmed
Evangelos Coutsias, Katrina Lexa, Michael Wester, Sara Pollock and Matt Jacobson
12(9), 4674-4687
Journal of Chemical Theory and Computation, September 13, 2016
DOI: 10.1021/acs.jctc.6b00250
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Flexibility of Bricard's linkages and other structures via resultants and computer algebra
Robert H. Lewis and Evangelos A. Coutsias,
doi:10.1016/j.matcom.2014.11.002 Mathematics and Computers in Simulation 125 (2016), 152 - 167
(arXiv preprint arXiv:1408.6247, 2014).
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Constraint methods that accelerate free-energy simulations of biomolecules
Alberto Perez, Justin L. MacCallum, Evangelos A. Coutsias and Ken A. Dill
The Journal of Chemical Physics 143(24):243143 December 2015
DOI: 10.1063/1.4936911
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A human transcription factor in search mode
Kevin Hauser, Bernard Essuman, Y. He, Evangelos A. Coutsias, Miguel Garcia-Diaz and Carlos Simmerling
Nucleic Acids Research (2015) doi: 10.1093/nar/gkv1091.
Supplementary Materials
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On the comparison of energy sources: Feasibility of radio frequency and ambient light harvesting
Alexander O. Korotkevich, Zhanna S. Galochkina, Olga Lavrova, Evangelos A. Coutsias,
doi:10.1016/j.renene.2015.03.065
Renewable Energy 2015, 81, 804-807.
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Selective Inhibition of Initiator
versus Executioner Caspases Using Small Peptides Containing Unnatural Amino
Acids
Chris J. Vickers, Gonzalo E. González-Páez, Kevin M. Litwin, Jeffrey C. Umotoy,
Evangelos A. Coutsias, and Dennis W. Wolan,
dx.doi.org/10.1021/cb5004256 | ACS Chem. Biol. 2014, 9(10), 2194-2198.
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The FALC-Loop web server for protein loop modeling
Junsu Ko, Dongseon Lee, Hahnbeom Park, Evangelos A. Coutsias, Julian Lee and
Chaok Seok,
Nucleic Acids Research, 39, W210-W214 (2011), doi:10.1093/nar/gkr352
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Assessing protein loop flexibility by hierarchical Monte
Carlo sampling
Jerome Nilmeier, Lan Hua, Evangelos A. Coutsias and Matt P. Jacobson,
J. Chem. Theory Comput., 7(5), 1564-1574, (2011). DOI: 10.1021/ct1006696.
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Protein loop modeling by using fragment assembly and
analytical loop closure
Julian Lee, Dongseon Lee, Hahnbeom Park, Evangelos A. Coutsias and Chaok Seok,
PROTEINS: Structure, Function, and Bioinformatics, 78(16), 3428-3436, Dec. 2010 (
published online: 9/24/10 ), DOI: 10.1002/prot.22849,
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Topology of Cyclooctane Energy Landscape
Shawn Martin, Aidan Thompson, Evangelos A. Coutsias and Jean-Paul Watson,
JChemPhys 132, 234115 (2010)
(
published online: 6/21/10 ), DOI: 10.1063/1.3445267,
Supplementary Materials
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Sub-Angstrom Accuracy in Protein Loop Reconstruction
by Robotics-Inspired Conformational Sampling
Daniel J. Mandell, Evangelos A. Coutsias and Tanja Kortemme,
Nature Methods 6, 551 - 552 (2009); doi:10.1038/nmeth0809-551
Supplementary Materials
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Delay-induced destabilization of entrainment of nerve impulses on ephaptically
coupled nerve fibers
M.H. Adhikari, J.K. McIver, E.A. Coutsias,
Physical Review E 79, 011910 (2009) (8 pages), DOI: 10.1103/PhysRevE.79.011910 (accepted, 12/16/2008).
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Periodic Solutions of a Singularly Perturbed Differential Delay Equation
M.H. Adhikari, E.A. Coutsias, J.K. McIver,
Physica D, 237(24), pp.3307-3321, (Dec. 15, 2008),
doi:10.1016/j.physd.2008.07.019 .
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Algorithmic Dimensionality Reduction for Molecular Structure Analysis,
W.M. Brown, S. Martin, S.N. Pollock, E.A. Coutsias, J.P. Watson,
J. Chem. Phys. 129(6), 064118(pp.1-13) (2008)
DOI: 10.1063/1.2968610 (web release, 8/14/2008).
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Scaffold Topologies I: Exhaustive Enumeration up to Eight Rings,
S.N. Pollock, E.A. Coutsias, M.J. Wester and T.I. Oprea,
J. Chemical Information and Modeling, 2008 (Jul. 8), 48(7), 1304-1310, DOI:10.1021/ci7003412
(web release 7/8/2008).
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Scaffold Topologies II: Analysis of Chemical Databases,
M.J. Wester, S.N. Pollock, E.A. Coutsias, T.K. Allu, S. Muresan and T.I. Oprea,
J. Chemical Information and Modeling, 2008 (Jul. 8), 48(7), 1311-1324, DOI:10.1021/ci700342h,
(web release, 7/8/2008).
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Iterative assembly of helical proteins by optimal hydrophobic packing,
A.Wu, E.A. Coutsias and K.A. Dill,
Structure, 16, 1257-1266, August 6, 2008.
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Efficiency of Rotational Operators for
Geometric Manipulation of Chain Molecules
Chaok Seok and E.A. Coutsias, Bulletin of the Korean Chemical Society,
28(10), p.1705-1708, (2007).
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Algorithmic Search for Flexibility using Resultants of Polynomial Systems.
Robert H. Lewis and E. A. Coutsias, pp. 68-79.
Automated Deduction in Geometry: 6th International Workshop, Pontevedra Spain, August 31-
September 2, 2006, Revised Papers.
Series: Lecture Notes in Computer Science , Vol. 4869
Sublibrary: Lecture Notes in Artificial Intelligence
Botana, Francisco; Recio, Tomas (Eds.) Springer, Berlin, 2007.
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Spectral element modeling of semiconductor heterostructures
Greg von Winckel, S. Krishna, E.A. Coutsias.
(Mathematical and Computer Modeling, Volume 43, Issues 5-6, Pages
582-591 (March 2006))
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Resultants and Loop Closure
E.A. Coutsias, C. Seok, M.J. Wester and K.A. Dill.
(International Journal of Quantum Chemistry, 106(1), 176-189, 2006)
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Rotational Superposition and least squares: The SVD and Quaternions approaches yield identical results.
E.A. Coutsias, C. Seok, K. Dill.
Journal of Computational Chemistry
Volume 26, Issue 15, Date: 30 November 2005, Pages: 1663-1665
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A reduced-order partial differential
equation model for dynamics of the flow in a thermosyphon.
Elisabeth Burroughs, E.A. Coutsias, L. Romero.
(Journal of Fluid Mechanics, 543, 203-237, 2005)
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Research Results on Biomagnetic Imaging of Lung Tumors.
Laurel O. Sillerud, Popa, S.G., Coutsias, E.A., Sheltraw, D., Kuethe, D.,
Adolphi, N.
Proc.
SPIE Vol. 5692, p. 1-10, Advanced Biomedical and Clinical Diagnostic Systems
III; Tuan Vo-Dinh, Warren S. Grundfest M.D., David A. Benaron M.D., Gerald
E. Cohn; Eds., April 2005
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The flexibility in the proline ring couples to the
protein backbone.
Bosco Ho, E.A. Coutsias, C. Seok, K. Dill
(Protein Science, 2005, 14:1011-1018)
proline.m , matlab script for computing proline conformations for given phi angle.
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Using Quaternions to calculate RMSD
E.A. Coutsias, C. Seok, K.A. Dill
(Journal of Computational Chemistry, 2004, vol 25, pp 1849-1857)
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Notes on the Quaternions,
E.A. Coutsias, L. Romero (Sandia Technical Report, SAND2004-0153, 2004).
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A Kinematic View of Loop Closure (pdf),
E.A. Coutsias, Chaok Seok, M.P. Jacobson, K.A. Dill
(Journal of Computational Chemistry, Volume 25, Issue 4, pp 510 - 528 (2004) )
_Biocomp04 presentation (ppt)
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Invertibilty of Current Density from Near-Field
Electromagnetic Data
Daniel Sheltraw, E.A. Coutsias,
(2003, Journal of Applied Physics, v94, n8, pp. 5307-5315).
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Thin-Section CT Evidence of Bronchial
Thickening in Children with Stable Asthma: Bronchoconstriction or
Airway Remodeling?
Loren Ketai, Cecilia Coutsias, Susan Williamson and Evangelos Coutsias
(Academic Radiology 2001; 8:257-264)
Supplementary materials
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Two-Dimensional Turbulence in Square and Circular Domains
with No-Slip Walls
Hermann Clercx, A.H. Nielsen, D.J. Torres, E.A. Coutsias.
( Eur.J.Mech. B-Fluids 20(2001) 557-576).
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The Dynamics of Forced Circular Shear Layers
Keith Bergeron, E.A. Coutsias, J.P. Lynov, A.H. Nielsen.
( Journal of Fluid Mechanics, 402, pp.255-289, 2000).
ANNULUS picture gallery
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An accurate and efficient spectral method for studies of the
dynamical properties of forced, circular shear layers, J.P. Lynov, K. Bergeron, E.A. Coutsias and A.H Nielsen, Applied Numerical Mathematics, 33, p.175-181, (2000).
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Pseudospectral Solution of the 2D Navier-Stokes
Equations in a Disk
David J. Torres, E.A. Coutsias,
SIAM Journal of Scientific Computing, 21, pp 378-403, (1999).
Disk picture gallery
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Decaying Two-Dimensional Turbulence in Bounded Flows
Anders H. Nielsen, D.J. Torres, E.A. Coutsias.
(25th EPS Conf. on Controlled Fusion and Plasma Phys., 1998).
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The Approximate Functional Formula for the Theta
Function and Diophantine Gauss Sums
( Transactions of the AMS, 350(2), pp.615-641, 1998)
E.A. Coutsias, N.D. Kazarinoff.
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A Nucleation Theory of Cell Surface Capping
E.A. Coutsias, M.J. Wester, A.S. Perelson.
Journal of Statistical Physics, 87(5/6), 1179 - 1203, (1997).
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Optimized Preparation of Quantum States by Conditional Measurements
Gershon Kurizki, M. Harrel, J.K. McIver, E.A. Coutsias.
Phys. Rev. A, 53(6), 4534 - 4538, (1996).
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Self Organization in 2D Circular Shear Layers, K. Bergeron, E.A. Coutsias, J.P. Lynov and A.H. Nielsen. Physica Scripta T67, 1996, p. 33-37.
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An Efficient Spectral Method for Ordinary Differential
Equations with Rational Function Coefficients
E.A. Coutsias, T. Hagstrom, D.J. Torres.
Mathematics of Computation 65, 611 - 635, (1996).
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Integration Preconditioners for Differential Operators
in Spectral tau Methods
E.A. Coutsias, T. Hagstrom, J.S. Hesthaven, D.J. Torres.
( ICOSAHOM 3, 1995; p.21-38 / Spec. Issue Houston Journal of Mathematics - 1996)
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An Accurate and Efficient Spectral tau Method for the
Incompressible Navier-Stokes Equations in a Planar Channel
E.A. Coutsias, J.S. Hesthaven, J.P. Lynov.
(ICOSAHOM 3, 1995; p.39-54 / Spec. Issue Houston Journal of Mathematics - 1996)
CHANNEL picture gallery
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Acoustic Wave nonlinearity in
stimulated Brillouin scattering,
Bruce S. Masson, E.A. Coutsias.
(J.Opt.Soc.Am., B, 1367-1373, (1994)).
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Vortex Dipoles Colliding with Curved Walls,
E.A. Coutsias, J.P. Lynov, A.H. Nielsen, M. Nielsen, J.Juul Rasmusen and B. Stenum.
in Proc. of ``Future Directions in Physical and Biological Systems'', Lyngby, Denmark,
P.L. Christiansen, J.C. Eilbeck, and R.D. Parmentier, eds., Plenum Press, New
York, 51-54, (1992).
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Coherent Vortical Structures in Two-Dimensional
Plasma Turbulence
Hans Pecseli, E.A. Coutsias et al.
(Plasma Physics and Controlled Fusion - 34(13), p.2065-2070, (1992)).
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Fundamental interactions of
vortical structures with boundary layers in two-dimensional flows
E.A. Coutsias, J.P. Lynov.
(Physica D51, 482-497, (1991)).
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A new Formulation for Dendritic Crystal
Growth in Two Space Dimensions
E.A. Coutsias, H. Segur.
(
in "Asymptotics beyond All Orders",
H. Segur, H. Levin and S. Tanveer, Eds., Plenum Press, New York, 1991, pp. 87-104)
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Spectral methods for numerical plasma simulation,
E.A. Coutsias, F.R. Hansen, T. Huld, G. Knorr and J.P. Lynov.
Physica Scripta, 40, 270-279, (1989).
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Caustics and virtual cathodes in electron beams
E.A. Coutsias.
(J. Plasma Phys., 40(2), 369-384, (1988)).
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Virtual cathode oscillator (vircator)
theory
D.J. Sullivan, J.E. Walsh and E.A. Coutsias.
High-Power Microwave sources, Ch.13, V.L. Granatstein and I. Alexeff eds., (1987).
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Disorder, renormalizability, theta functions and cornu spirals
E.A. Coutsias, N.D. Kazarinoff.
(Physica, 26D, 295-310, (1987)).
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A moving boundary model of acrosomal elongation,
Alan S. Perelson and E.A. Coutsias.
J. Math. Biology, 23, 361-379, (1986).
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Non relativistic Kapitza-Dirac scattering
E.A. Coutsias, J.K. McIver.
(Phys. Rev. A, 31, 3155-3168, (1985)).
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Effects of thermal spread on the space charge limit of an electron beam
E.A. Coutsias.
(J. Plasma Phys., 31, 313-320, (1984)).
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The aging of nuclei in a binary mixture
E.A. Coutsias, J.C. Neu.
(Physica, 12 D, 295-302, (1984)).
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E.A. Coutsias, D.J. Sullivan.
Space charge limit instabilities in electron beams
(Phys. Rev. A, 27, 1535, (1983)).
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Long-time behavior of Ginzburg-Landau systems far from equilibrium
E.A. Coutsias, B. Huberman.
(Physical Rev. B, 24, 2592, (1981)).
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On an application of perturbation methods to the Beam-Beam
Interaction, T. Bountis and E.A. Coutsias.
in Proceedings of the Symposium on Nonlinear Dynamics
and the Beam-Beam Interaction, March 19-21,1979, E. Herrera and M. Month,
eds., APS, Brookhaven National Laboratory, 53-61, (l980).
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Stable oscillations in single species growth models with
hereditary effects,
Donald S. Cohen, E.A. Coutsias and J.C. Neu.
Mathematical Biosciences, 44, 255-268, (1979).
(ca. 1913)
Raoul Bricard: Memoir on the theory of the articulated octahedron
(English translation from the French (1897) original )
Current work.
Last edit: Tue Dec 16 21:31:35 MST 2008