XEROXED: R. Elber and M. Karplus, "Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin", Science 235, 318-321 (1987). J. A. McCammon, B. R. Gelin, and M. Karplus, "Dynamics of folded proteins", Nature 267, 585-590 (1977). REFERENCES: C. L. Brooks, III, M. Karplus, and B. M. Pettitt, "Proteins: a theoretical perspective of dynamics, structure and thermodynamics", Adv. Chemical Physics, v. 71, Interscience, John Wiley, 1988. ISBN 0-471-52977-X (paper), QD453.A27, vol. 71. J. A. McCammon and S. C. Harvey, "Dynamics of proteins and nucleic acids", Cambridge, 1987. ISBN 0-521-35652-0 (paper), QD431.M4245. M. P. Allen and D. J. Tildesley, "Computer simulation of liquids", Oxford, 1987. ISBN 0-19-855645-4 (paper), QC145.2.A43. W. F. van Gunsteren, and H. J. C. Berendsen, "Computer simulation of molecular dynamics: methodology, applications, and perspectives in chemistry", Angew. Chemie Int. Ed. Engl. 29, 992-1023 (1990). WEB: http://www.google.com/search?hl=en&ie=ISO-8859-1&oe=ISO-8859-1&q=tutorial+OR+lectures+OR+course+protein+molecular+dynamics+simulation google search: tutorial OR lectures OR course protein molecular dynamics simulation http://www.biophysics.org/btol/ Biophysics Textbook Online, various contributors http://www.biophysics.org/btol/compute.html Computational and Theoretical Biophysics, Daniel A. Beard, Volume Editor especially info.nih.gov/intro_simulation/course_for_html.html Introduction to Macromolecular Simulation, Peter J. Steinbach http://antas.agraria.uniss.it/ tutorials and more http://antas.agraria.uniss.it/tutorials.html Computational Chemistry Tutorials http://www.fisica.uniud.it/~ercolessi/md/md/ A molecular dynamics primer Furio Ercolessi http://www.nyu.edu/classes/tuckerman/stat.mech/ Statistical Mechanics, Professor M. Tuckerman, mark.tuckerman@nyu.edu http://monod.biomath.nyu.edu/index/course/textbooks.html list of references http://www.lsmc.u-bordeaux.fr/pab/teachmat.html Modeling and Simulations: Course materials and references, Philippe A. Bopp, pab@loriot.lsmc.u-bordeaux.fr http://www.theochem.uni-stuttgart.de/theolinks/links.html long list of links /www.ch.embnet.org/MD_tutorial intro to CHARMM short