Barry Isralewitz
Personal Data
Current Research Projects
I work for Klaus Schulten in the Theoretical and Computational Biophysics Group at the Beckman Institute. My areas of
research include:
Steered Molecular Dynamics (SMD), including simulations of bacteriorhodopsin, titin, and ATP synthase.
Molecular dynamics analysis tools, including methods for interactive visualization of trajectory information.
Publications
Emad Tajkhorshid, Aleksei Aksimentiev, Ilya Balabin, Mu Gao, Barry Isralewitz, James C. Phillips, Fangqiang Zhu, and Klaus Schulten. "Large scale simulation of protein mechanics and function.", 2003, Advances in Protein Chemistry, vol. 66, 195-247.
(abstract) (PDF pre-print)
Barry Isralewitz, Mu Gao, and Klaus Schulten. "Steered molecular dynamics and mechanical functions of proteins.", 2001, Current Opinion in Structural Biology, vol. 11, 224-230. (abstract) (PDF)
Barry Isralewitz, Jerome Baudry, Justin Gullingsrud, Dorina Kosztin, and Klaus Schulten. "Steered molecular dynamics investigations of protein function", 2001, Journal of Molecular Graphics and Modeling, vol.19, 13-25 ; also in Protein Flexibility and Folding , L. A. Kuhn and M. F. Thorpe, editors , Biological Modeling Series , Elsevier, New York, NY 2001. (abstract) (PDF)
H. Lu, A. Krammer, B. Isralewitz, V. Vogel, and K. Schulten,
"Computer modeling of force-induced titin domain unfolding".
In Jerry Pollack and Henk Granzier, editors. Elastic Filaments of
the Cell, chapter 1. Kluwer Academic/Plenum Publishers, New York, NY,
2000.
(abstract)
(PDF pre-print)
A. Krammer, H. Lu, B. Isralewitz, K. Schulten,
and V. Vogel, "Forced unfolding of the fibronectin type III module
reveals a tensile molecular recognition switch", 1999, Proceedings
of the National Academy of Science, USA, vol. 96, 1351-1356.
(abstract)
(PDF)
H. Lu, B. Isralewitz, A. Krammer, V. Vogel, and K. Schulten,"Unfolding of Titin Immunoglobulin Domains by Steered Molecular Dynamics", 1998,
Biophysical Journal, vol. 75, 662-671
(abstract)
(PDF)
S. Izrailev, S. Stepaniants, B. Isralewitz, D. Kosztin,
H. Lu, F. Molnar, W. Wriggers, K. Schulten,
"Steered molecular dynamics",
In P. Deuflhard, J. Hermans, B. Leimkuhler, A. Mark, R. D. Skeel,
and S. Reich, editors.
Computational Molecular Dynamics: Challenges, Methods, Ideas
Springer-Verlag, 1999.
(abstract)
(PDF)
B. Isralewitz, S. Izrailev and K. Schulten, "Binding
pathway of retinal to bacterio-opsin: a prediction by
molecular dynamics simulations", 1997,
Biophysical Journal, vol. 73, 2972-2979.
(abstract)
(PDF)
B. Isralewitz and Shalloway, D., Computer assisted recombinant DNA design and analysis with MATILDA. In Microcomputers in
Biochemistry: A Practical Approach. C.F.A. Bryce, ed., IRL Press, Oxford, 1992, pp. 159-188.
Feel free to mail me any time.