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• M.P. Allen & D.J. Tildesley (1987): Computer Simulation of Liquids. Oxford University Press, New York. [Good advanced reference book for molecular simulations]
• A.D. Bates & A. Maxwell (1993): DNA Topology, In Focus series, Oxford University Press, New York. [Beautiful paperback on the higher organizational forms of DNA]

• C.L. Brooks, III, M. Karplus & B.M. Pettitt (1988): Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics. Wiley Interscience, New York. [Nice collection on protein simulations]

• U. Burkert & N.L. Allinger (1982): Molecular Mechanics. American Chemical Society, Washington D.C. [Basic introductory monograph on molecular mechanics]

• C.R. Cantor & P.R. Schimmel (1980): Biophysical Chemistry. Vol. 1,2,3. W.H. Freeman and Company, San Fransisco. [Excellent text and reference book on many aspects of biophysical chemistry]

• T. Clark (1985): A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations. Wiley Interscience, New York. [Useful practical guide to available molecular modeling packages, but not up to date]

• T.E. Creighton, Editor (1992): Protein Folding. W.H. Freeman & Company, New York. [Nice collection with general topics regarding proteins covered]

• L.M. Gierasch & J. King, Editors (1990): Protein Folding, Deciphering the Second Half of the Genetic Code. AAAS, Washington D.C. [Interesting and beautifully illustrated collection of articles; best bet: Jane Richardson's origami analogues of protein folding motifs!]

• H. Gould & J. Tobochnik (1988): An Introduction to Computer Simulation Methods: Applications to Physical Systems. Addison-Wesley, Reading, MA.

• D. Eisenberg & D. Crothers (1979): Physical Chemistry with Applications to the Life Sciences. Benjamin Cummings, Menlo Park, California [Wonderful physical chemistry textbook, with useful biomolecular information]

• J.M. Haile (1992): Molecular Dynamics Simulations: Elementary Methods. Wiley, New York. [Elementary text on molecular dynamics]

• K.B. Lipkowitz & D.B. Boyd, Editors (1990-- ) VCH Publishers, New York. [Nice series of book, with volumes appearing annually (the seventh in 1996) with comprehensive reviews and tutorials on many aspects of computational chemistry]

• J.A. McCammon & S.C. Harvey (1987): Dynamics of Proteins and Nucleic Acids. Cambridge University Press, Cambridge [First book on biomolecular dynamics simulations]

• D.A. McQuarrie (1976): Statistical Mechanics. Harper Collins Publishers, New York. [Good reference text]

• National Research Council report (1995): Mathematical Challenges from Theoretical/Computational Chemistry, National Academy Press, Washington D.C. URL: http://www.nap.edu/nap/online/mctcc/index.html. [Panel report on the opportunities for collaboration, past achievments, and future possibilities between mathematical and chemical scientists]

• D.C. Rapaport (1995): The Art of Molecular Dynamics Simulation. Cambridge University Press, Cambridge, England. [Text on molecular dynamics focusing on software details]

• W. Saenger (1984): Principles of Nucleic Acid Structure. Springer Advanced Texts in Chemistry, Springer-Verlag, New York. [Wonderful guide to the richness of DNA structure, with an amazing breadth of topics]

• R.R. Sinden (1994): DNA Structure and Function. Academic Press, San Diego, CA [Nice up-to-date textbook on DNA structure]

• G.E. Schulz & R.H. Schirmer (1990): Principles of Protein Structure, Springer Advanced Texts in Chemistry, Springer-Verlag, New York. [Nice advanced text on the rapidly-changing field of protein folding]

• L. Stryer, Biochemistry. W.H. Freeman, latest edition (third in 1988), New York. [Wonderful biochemistry textbook, keeps up to date]

• W. Van Gunsteren & P. Weiner, Editors (1989): Computer Simulation of Biomolecular Systems: Theoretical and Experimentational Applications. Vol.1 ESCOM, Leiden, The Netherlands

• W. Van Gunsteren, P. Weiner & A.T. Wilkinson, Editors (1993): Computer Simulation of Biomolecular Systems: Theoretical and Experimentational Applications. Vol.2 ESCOM, Leiden, The Netherlands

• W. Van Gunsteren, P. Weiner & A.T. Wilkinson, Editors (1996): Computer Simulation of Biomolecular Systems: Theoretical and Experimentational Applications. Vol.3 ESCOM, Leiden, The Netherlands [Good volume series on biomolecular simulations, covering both algorithms and applications]