Filters: Author is A. Onufriev [Clear All Filters]
2008
"Analysis of basic clustering algorithms for nu- merical estimation of statistical averages in biomolecules",
J. Comp. Biol., vol. 15, pp. 165–18, 2008.
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Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin,
, (in press ), 2008.
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"Implicit Solvent Models inMolecular Dynamics Simulations",
Annual Review of Computational Chemistry, 2008.
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2007
"An Analytical Approach to Computing Biomolecular Electrostatic Potential",
J. Chem. Phys, 2007.
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"Analysis of integral expressions for effective Born radii",
J. Chem. Phys., vol. 127, 2007.
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"Generalized Born Model with a Simple, Robust Molecular Volume Correction",
J. Chem. Theory and Comput, vol. 3, pp. 156-169, 2007.
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"Validation and estimation of parameters for a general probabilistic model of the PCR process",
J. Comp. Biol., vol. 14, pp. 102–117, 2007.
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2006
"A computational study of nucleosomal DNA flexibility",
Bio- phys J , vol. 91, pp. 4121-4132, 2006.
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"A general probabilistic model of the PCR process",
Appl. Math. Comput, vol. 182 , pp. 232–243, 2006.
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2005
"Decomposing Complex Ligand Binding into Simple Com- ponents: Connections between Microscopic and Macroscopic models.",
J. Phys. Chem. , vol. 108, pp. 11157–11169, 2005.
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"Incorporating various dielectric environments into the generalized Born model",
J. Chem. Phys., vol. 122, 2005.
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"The Amber Bio-molecular Simulation Programs",
Journal of Computational Chemistry , vol. 26, pp. 1668-1688, 2005.
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2004
"Performance Comparison of Generalized Born and Poisson Methods in the Calculation of Electrostatic Solvation Energies for Protein Structures",
Journal of Computational Chemistry , vol. 468, pp. 96–111, 2004.
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