Biblio

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2013
Anandakrishnan, R., C. Baker, S. Izadi, and A. V. Onufriev, "Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions", PLoS ONE, vol. 8, issue 7, pp. e67715, 7/2013.
2012
Mukhopadhyay, A., A. T. Fenley, I. S. Tolokh, and A. V. Onufriev, "Charge Hydration Asymmetry: The Basic Principle and How to Use It to Test and Improve Water Models", The Journal of Physical Chemistry B, vol. 116, issue 32, pp. 9776 - 9783, 08/2012.
Aguilar, B., and A. V. Onufriev, "Efficient Computation of the Total Solvation Energy of Small Molecules via the R6 Generalized Born Model", Journal of Chemical Theory and Computation, vol. 8, issue 7, pp. 2404 - 2411, 07/2012.
2011
Savin, A. V., M. A. Mazo, I. P. Kikot, L. I. Manevitch, and A. V. Onufriev, "Heat conductivity of the DNA double helix", Physical Review B, vol. 83, issue 24, 6/2011.
Onufriev, A. V., and G. Sigalov, "A strategy for reducing gross errors in the generalized Born models of implicit solvation", The Journal of Chemical Physics, vol. 134, issue 16, pp. 164104, 2011.
Anandakrishnan, R., M. Daga, and A. V. Onufriev, "An n log n Generalized Born Approximation", Journal of Chemical Theory and Computation, vol. 7, issue 3, pp. 544 - 559, 03/2011.
2010
Anandakrishnan, R., and A. V. Onufriev, "An NlogN approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions", Journal of Computational Chemistry, vol. 31, no. 4, pp. 691–706, 2010.
Aguilar, B., R. Anandakrishnan, J. Z. Ruscio, and A. V. Onufriev, "Statistics and Physical Origins of pK and Ionization State Changes upon Protein-Ligand Binding", Biophysical Journal, vol. 5, pp. 872–880, 2010.
Aguilar, B., R. Shadrach, and A. V. Onufriev, "Reducing the Secondary Structure Bias in the Generalized Born Model via R6 Effective Radii", Journal of Chemical Theory and Computation, vol. 6, issue 12, pp. 3613 - 3630, 12/2010.
Fenley, A. T., D. A. Adams, and A. V. Onufriev, "Charge State of the Globular Histone Core Controls Stability of the Nucleosome", Biophysical Journal, vol. 99, issue 5, pp. 1577 - 1585, 09/2010.
Anandakrishnan, R., T. R. W. Scogland, A. T. Fenley, J. C. Gordon, W. - C. Feng, and A. V. Onufriev, "Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing units", Journal of Molecular Graphics and Modelling, vol. 28, issue 8, pp. 904 - 910, 06/2010.
2009
Bhattacharjee, P., N. Ramakrishnan, L. S. Heath, and A. V. Onufriev, "Correlation Between Computed Equilibrium Secondary Structure Free Energy and siRNA Efficiency", IEEE International Conference on Bioinformatics and Biomedicine Workshop, Washington, DC, pp. pp. 351–351, 2009.