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Steven K. Burger, Ph.D.

Affiliations: 
2007 Chemistry Duke University, Durham, NC 
Area:
quantum mechanical simulations of biological systems and nanostructures
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Parents

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Weitao Yang grad student 2007 Duke
 (Minimum energy and steepest descent path algorithms for QM/MM applications.)
G. Andres Cisneros post-doc 2013 Wayne State

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Publications

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Liu Y, Patel AH, Burger SK, et al. (2017) Benchmarking pKa prediction methods for Lys115 in acetoacetate decarboxylase. Journal of Molecular Modeling. 23: 155
Rabi S, Patel AHG, Burger SK, et al. (2017) Exploring the substrate selectivity of human sEH and M. tuberculosis EHB using QM/MM Structural Chemistry. 28: 1501-1511
Mohammed AA, Burger SK, Ayers PW. (2014) Drug release by pH-responsive molecular tweezers: atomistic details from molecular modeling. Journal of Computational Chemistry. 35: 1545-51
Burger SK, Ayers PW, Schofield J. (2014) Efficient parameterization of torsional terms for force fields. Journal of Computational Chemistry. 35: 1438-45
Burger SK, Schofield J, Ayers PW. (2013) Quantum mechanics/molecular mechanics restrained electrostatic potential fitting. The Journal of Physical Chemistry. B. 117: 14960-6
Burger SK, Cisneros GA. (2013) Efficient optimization of van der Waals parameters from bulk properties. Journal of Computational Chemistry. 34: 2313-9
Kraskouskaya D, Drewry JA, Duodu E, et al. (2013) Exploring the structural determinants of selective phosphopeptide recognition using bivalent metal-coordination complexes Medchemcomm. 4: 289-292
Burger SK, Lacasse M, Verstraelen T, et al. (2012) Automated Parametrization of AMBER Force Field Terms from Vibrational Analysis with a Focus on Functionalizing Dinuclear Zinc(II) Scaffolds. Journal of Chemical Theory and Computation. 8: 554-62
Drewry JA, Duodu E, Mazouchi A, et al. (2012) Phosphopeptide selective coordination complexes as promising SRC homology 2 domain mimetics. Inorganic Chemistry. 51: 8284-91
Drewry JA, Burger S, Mazouchi A, et al. (2012) Src homology 2 domain proteomimetics: Developing phosphopeptide selective receptors Medchemcomm. 3: 763-770
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