GET_pdf delibra

Volume 1 (1) 1996, 43-54

Molecular Dynamics Simulations of Biomolecular Systems

Kuliński Tadeusz

Institute of Bioorganic Chemistry, Polish Academy of Sciences
Noskowskiego 12-14, Poznan, Poland

DOI:   10.12921/cmst.1996.01.01.43-54



[1] Grunert, H P. Landt, O. Zirpel-Giesebrecht, M. Backmann, J. Heinemann, U. Saenger, W. Hahn, U. Trp59 to Tyr substitution enhances the catalytic activity of RNase T1 and of the Tyr to Trp variants in positions 24, 42 and 45. Protein Eng. 1993 (6(7)) pp 739-744
[2] Elofsson, A. Kulinski, T. Rigler, R. Nilsson, L. Site specific point mutation changes specificity: a molecular modelling study by free energy simulations and enzyme kinetics of the thermodynamics in ribonuclease T1 substrate interactions. Proteins 1993 (17(2)) pp 161-175
[3] Beveridge, D L. DiCapua. F M. Free energy via molecular simulation: applications to chemical and biomolecular systems. [Review ]. Annual Review of Biophysics & Biophysical Chemistry 1989 (18) pp 431-492
[4] Heinemann.U. & Saenger ,W.(1982): Specific protein-nucleic acid recognition in ribonuclease T1-2′,-guanylic acid complex: an X-ray studv Nature,299,27.
[5] Brooks. B.R.. Bruccoleri. R E., Olafsen. B.D., States. D.J., Swaminathan. S., Karplus. M., CHARMM: A program for macromolecular energy minimization and dynamics calculations. J. Comp. Chem. 4, 187-217, 1983.
[6] K.Kulinska and A.Laaksonen. “Hydration of cytidine, 2′-deoxyctidine and their phosphate salts in the aqueous solutions. A Molecular Dynamics computer simulations study “, J. Biomolecular Struct Dynamics 11, 1307-1325, 1994.
[7] Kulmska. K .,Sarzynska, J. and Wiewiorowski, M.( 1991) Vibrational Spectroscopy 1: 277
[8] Laaksonen, A.( 1986) Comput Phys Comm 42: 271.
[9] Weiner. S.J., Kollman, P.A., Nguyen. D.T., Case. 1). A. (1986) J Comp Client, v.7, 2:230
[10] Berendsen. H.J.C., Postma. J.P.M., van Gunsteren. W.F. and Hermans. J.( 1981). in Intennolecular Forces, edited bv Pullman. B., p. 331.
[11] Allen. M.P. and Tildesley. D.J., Computer Simulations of Liquids, Oxford Science Publications. (1987).