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Nathan A. Baker
Associate Professor
Dept. of Biochemistry and
Molecular Biophysics |
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Mailing Address:
WUSM - Biochemistry Dept.
660 S. Euclid Ave., MS8231
St. Louis, MO 63110
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Research Interests
Computational biology: multiscale modeling of biological process, biomolecular solvation, protein structure and dynamics
Research
Our research uses the methods of theoretical and computational science to study the physical phenomena underlying the behavior of biological systems. Such studies offer insight into the basic mechanisms of biomolecular dynamics and function and provide a foundation for new tools and algorithms to complement experimental research.
Selected Publications
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Silva, J.R., Pan, H., Wu, D., Nekouzadeh, A., Decker, K.F., Cui, J., Baker, N.A., Sept, D. and Rudy, Y.A. A multiscale model linking ion-channel molecular dynamics and electrostatics to the cardiac action potential. Proc Natl Acad Sci USA (E-pub ahead of print.) (2009).
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Olsen, B.N., Schlesinger, P.H. and Baker, N.A. Perturbations of membrane structure by cholesterol and cholesterol derivatives are determined by sterol orientation. J Am Chem Soc 131:4854-4865 (2009).
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Dong, F., Wagoner, J.A. and Baker, N.A. Assessing the performance of implicit solvation models at a nucleic acid surface. Phys. Chem. Chem. Phys. 10:4889-4902, (2008).
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Bradley, M.J., Chivers, P.T. and Baker, N.A. Molecular dynamics simulation of the Escherichia coli NikR protein: Equilibrium conformational fluctuations reveal interdomain allosteric communication pathways. J Mol Biol. 378:1155-1173 (2008).
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Lee, S.J., Song, Y. and Baker, N.A. Molecular dynamics simulations of asymmetric NaCl and KCl solutions separated by phosphatidylcholine bilayers: Potential drops and structural changes induced by strong Na+-lipid interactions and finite size effects. Biophys J. 94:3565-3576 (2008).
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Dong, F., Olsen, B. and Baker, N.A. Computational methods for biomolecular electrostatics. Methods Cell Biol. 84:843-870 (2008).
