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Ernest R. Davidson research assistant 1990-1992 Indiana University
Rodney J. Bartlett grad student 1997 UF Gainesville
 (Coupled-cluster based methods for excited state energies and gradients.)
Martin Head-Gordon post-doc 1998-2002 UC Berkeley
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Publications

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Bowleg JL, Mikek CG, Gwaltney SR. (2023) Computed interactions of berenil with restricted foldamers of c-MYC DNA G-quadruplexes. Journal of Biomolecular Structure & Dynamics. 1-8
Jinasena D, Bowleg J, Simmons R, et al. (2019) Using Histone H1 Derived Peptides to Investigate Binding Affinity and Inter-Domain Dynamics in Human Pin1 Biophysical Journal. 116: 463a
Dickel D, Gwaltney SR, Mun S, et al. (2018) A Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur. The Journal of Physical Chemistry. A
Mun S, Bowman AL, Nouranian S, et al. (2017) An Interatomic Potential for Hydrocarbons Based on the Modified Embedded-Atom Method with Bond Order (MEAM-BO). The Journal of Physical Chemistry. A
Chambers JE, Chambers HW, Meek EC, et al. (2015) Novel nucleophiles enhance the human serum paraoxonase 1 (PON1)-mediated detoxication of organophosphates. Toxicological Sciences : An Official Journal of the Society of Toxicology. 143: 46-53
Nouranian S, Gwaltney SR, Baskes MI, et al. (2015) Simulations of tensile bond rupture in single alkane molecules using reactive interatomic potentials Chemical Physics Letters. 635: 278-284
Hossain D, Pittman CU, Gwaltney SR. (2014) Structures and Stabilities of the Metal Doped Gold Nano-Clusters: M@Au10 (M = W, Mo, Ru, Co). Journal of Inorganic and Organometallic Polymers and Materials. 24: 241-249
Nouranian S, Tschopp MA, Gwaltney SR, et al. (2014) An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method. Physical Chemistry Chemical Physics : Pccp. 16: 6233-49
Bhavaraju M, Gwaltney SR. (2013) A theoretical analysis of substituted aromatic compounds International Journal of Quantum Chemistry. 113: 1171-1179
Yu X, Sigler SC, Hossain D, et al. (2012) Global and local molecular dynamics of a bacterial carboxylesterase provide insight into its catalytic mechanism. Journal of Molecular Modeling. 18: 2869-83
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