PUBLICATION LIST: SIDDHARTH DASGUPTA

  1. Ultraviolet Resonance Raman Spectra of Hemoglobin Excited at 200 and 218nm : Tertiary and Quaternary Structure Differences, R.A. Copeland, S. Dasgupta, & T.G. Spiro, J. Am. Chem. Soc. 107, 3370 (1985).

  2. Picosecond Resonance Raman Evidence for Unrelaxed Heme in the Carbon-monoxymyoglobin Photoproduct, S. Dasgupta, T.G. Spiro, C.K. Johnson, G.A. Dalickas, & R.M. Hochstrasser, Biochem. 24, 5295 (1985).

  3. Ultraviolet Raman Spectroscopy Indicates Fast (<7ns) R-->T-like Motion in Hemoglobin, S. Dasgupta, R.A. Copeland, & T.G. Spiro, J. Biol. Chem. 261, 10960 (1986).

  4. Transient Resonance Raman Spectroscopy Shows Unrelaxed Heme Following CO Photodissociation from Cytochrome c Peroxidase, G. Smulevich, S. Dasgupta, A. English, & T.G. Spiro, Bioch. et. Biophys. Acta 873, 88 (1986).

  5. Resonance Raman Spectroscopic Evidence that Carp Deoxyhemoglobin Remains in a T-like Quaternary Structure at High pH: Implications for cooperativity, M. Coppey, S. Dasgupta, & T.G. Spiro, Biochem. 25, 1940 (1986).

  6. Resonance Raman Characterization of the 7ns Photoproduct of Carbonmonoxy-hemoglobin: Implications for Hemoglobin Dynamics, S. Dasgupta, & T.G. Spiro, Biochem. 25, 5941 (1986).

  7. Cryogenic Stabilization of Photodissociated Myoglobin, M. Sassarolli, S. Dasgupta, & D.L. Rousseau, Biochem. 261, 13704 (1986).

  8. Structural Characterization of Cytochrome c Peroxidase by Resonance Raman Scattering, S. Dasgupta, D.L. Rousseau, H. Anni, & T. Yonetani, J. Biol. Chem. 264, 654 (1989).

  9. The Role of Water Near Cytochrome a in Cytochrome c Oxidase, D.L. Rousseau, M. Sassarolli, Y. Ching, & S. Dasgupta, from Cytochrome Oxidase: Structure, Function, and Physiopathology in Annals of the New York Academy of Sciences 550, 223 (1988).

  10. Cytochrome c Oxidase: Evidence for Interaction of Water Molecules with Cytochrome a, M. Sassarolli, Y. Ching, S. Dasgupta, & D.L. Rousseau, Biochem. 28, 3128 (1989).

  11. Hessian-Biased Force Fields from Combining Theory & Experiment, S. Dasgupta, & W.A. Goddard, III, J. Chem. Phys. 90, 7207 (1989).

  12. Mechanical Properties and Force Field Parameters for Polyethylene Crystal, N. Karasawa, S. Dasgupta, & W.A. Goddard, III, J. Phys. Chem. 95, 2260 (1991).

  13. Benzene forms Hydrogen Bonds with Water, S. Suzuki, P.G. Green, R.E. Bumgarner, S. Dasgupta, W.A. Goddard, III, & G.A. Blake, Science 257, 942 (1992).

  14. Hydrogen Bonding in the Benzene-ammonia Dimer, D.A. Rodham, S. Suzuki, R.D. Suenram, F.J. Lovas, S. Dasgupta, W.A. Goddard, III, & G.A. Blake, Nature 362, 735 (1993).

  15. Poly-oxymethylene: The Hessian Biased Force Field for Molecular Dynamics Simulations, S. Dasgupta, K.A. Smith, & W.A. Goddard, III, J. Phys. Chem. 97, 10891 (1993).

  16. Stabilizing the Boat Conformation of Cyclohexane Rings, S. Dasgupta, Y. Tang, J.M. Moldowan, R.M.K. Carlson, & W.A. Goddard, III, J. Am. Chem. Soc. 117, 6532 (1995).

  17. Electron-Transfer Boat-Vibration Mechanism for Superconductivity in Organic Molecules Based on BEDT-TTF, E. Demiralp, S. Dasgupta, & W.A. Goddard, III, J. Am. Chem. Soc. 117, 8154 (1995).

  18. The Hessian Biased Force Field for Polysilane Polymers, C.B. Musgrave, S. Dasgupta, & W.A. Goddard, III, J. Phys. Chem. 997, 13321 (1995).

  19. Molecular Dynamics for Very Large Systems on Massively Parallel Computers, K-T. Lim, M. Iotov, R.B. McClurg, N. Vaidehi, S. Dasgupta, W.A. Goddard, III, S. Brunett, & S. Taylor, submitted to J. Comp. Chem.

  20. A New Hydrogen-bond Potential form Amides: Crystal Structure and Properties of Nylons, S. Dasgupta, W.B. Hammond, & W.A. Goddard, III, submitted to J. Am. Chem. Soc.

  21. Hessian Biased Force Fields: II The Singular Value Decomposition (SVD) Based Least Squares Method for Optimization and Analysis of Force Field Parameters, S. Dasgupta, T. Yamasaki, & W.A. Goddard, III, submitted to J. Chem. Phys.

  22. The MSXX Force Field for Molecular Dynamics Simulations of Si(111)Surface, C.B. Musgrave, S. Dasgupta, & W.A. Goddard, III, submitted to J. Phys. Chem.


    Updated October 13, 1995.
    sdg@www.wag.caltech.edu