WELCOME

Course Information

1960s
• G. Nemethy and H. A. Scheraga, ``Theoretical Determination of Sterically Allowed Conformations of a Polypeptide Chain by a Computer Method'', Biopolymers 3, 155-184 (1965).

  1970s

• P. Y. Chou and G. D. Fasman, ``Prediction of Protein Conformation'', Biochemistry 13, 222-245 (1974).

• M. Levitt and A. Warshel, ``Computer Simulation of Protein Folding'', Nature 253 694--698 (1975).

• M. Levitt and C. Chothia, ``Structural Patterns in Globular Proteins'', Nature 261, 552--558 (1976).

  1980--1984

  1985--1989

• M. Karplus and J. A. McCammon, ``The Dynamics of Proteins'', Sci. Amer. 254, 42--51 (1986).

• I. K. Roterman, M. H. Lambert, K. D. Gibson, and H. A. Scheraga, ``Comparison of the CHARMM, AMBER and ECEPP Potentials for Peptides. I. Conformational Predictions for the Tandemly Repeated Peptide (Asn-Ala-Asn-Pro)9'', J. Biomol. Struct. Dyn. 7, 391--419 (1989).

• I. K. Roterman, M. H. Lambert, K. D. Gibson, and H. A. Scheraga, ``Comparison of the CHARMM, AMBER and ECEPP Potentials for Peptides. II. $\phi$--$\psi$ Maps for {N}\'--Methyl Amide: Comparisons, Contrasts and Simple Experimental Tests", J. Biomol. Struct. Dyn. 7, 421--453 (1989).

• M. S. Friedrichs and P. G. Wolynes, ``Toward Protein Tertiary Structure Recognition by Means of Associative Memory Hamiltonians'', Science 246, 371--373 (1989).

  1990--1992

• M. Karplus and G. A. Petsko, ``Molecular Dynamics Simulations in Biology'', Nature 347, 631--639 (1990).

• J. Skolnick and A. Kolinski, ``Simulations of the Folding of a Globular Protein'', Science 250, 1121--1125 (1990).

• P. A. Kollman and K. A. Dill, ``Decisions in Force Field Development: An Alternative to Those Described by Roterman et al.'', J. Biomol. Struct. Dyn. 8, 1103--1107 (1991).

• K. B. Gibson and H. A. Scheraga", ``Decisions in Force Field Development: Reply to Kollman and Dill'', J. Biomol. Struct. Dyn. 8, 1109--1111 (1991).

• F. M. Richards, ``The Protein Folding Problem'' Scientific American 264, 54--63 (1991).

• H. A. Scheraga, ``Predicting Three-Dimensional Structures of Oligopeptides'', in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Editors, Vol. 3, pp. 73--142, VCH Publishers, New York (1992).

• T. Schlick, ``Optimization Methods in Computational Chemistry'', in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Editors, Vol. 3, pp. 1--71, VCH Publishers, New York (1992).

  1992--

• R. A. Abagyan and M. M. Totrov, ``Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins'', J. Mol. Biol. 235, 983--1002 (1994).

• J. A. Board, Jr., L. V. Kal'e, K. Schulten, R. D. Skeel, and T. Schlick, ``Modeling Biomolecules: Larger Scales, Longer Durations'', IEEE Comp. Sci. Eng. 1, 19--30 (Winter 1994).

• K. B. Lipkowitz, ``Abuses of Molecular Mechanics. Pitfalls to Avoid'', J. Chem. Educ. 72, 1070--1075 (1995).
• B. Cipra, ``Computer Science Discovers DNA'', in What's Happening in the Mathematical Sciences, pp. 26--37 (P. Zorn, Ed.), American Mathematical Society, Colonial Printing, Cranston, RI (1996).

• T. Schlick, ``Pursuing Laplace's Vision on Modern Computers'', in Mathematical Applications to Biomolecular Structure and Dynamics, IMA Volumes in Mathematics and Its Applications, J. P. Mesirov, K. Schulten and D. W. Sumners, Editors, Vol. 82, pp. 219--247, Springer-Verlag, New York (1996).

• T. Schlick, E. Barth, and M. Mandziuk, Biomolecular Dynamics at Long Timesteps: Bridging the Timescale Gap Between Simulation and Experimentation", Annual Review of Biophysics and Biomolecular Structure, Volume 26, Robert M. Stroud, Editor (to appear in 1997).

  Last Updated SEPEMBER 19, 1996