Steven W. Bunte

Molecular Modeling of Energetic Materials:  The Parameterization and Validation of Nitrate Esters in the COMPASS Force Field

Steven W. Bunte, Huai Sun · The Journal of Physical Chemistry B · 2000 · 474 citations

Materials Science, Molecular Kinetics, Molecular Solid +15

Variation in Strength of an Unconventional C−H to O Hydrogen Bond in an Engineered Protein Cavity

Rabi A. Musah, Gerard M. Jensen, R.J. Rosenfeld et al. · Journal of the American Chemical Society · 1997 · 113 citations

Crystal Structure, Molecular Sciences, Biochemistry +12

Density Functional and MP2 Calculations of Spin Densities of Oxidized 3-Methylindole:  Models for Tryptophan Radicals

Greg Jensen, David B. Goodin, Steven W. Bunte · The Journal of Physical Chemistry · 1996 · 55 citations

Spin Densities, Magnetic Resonance, Mp2 Calculations +19

Energetics of Cation Radical Formation at the Proximal Active Site Tryptophan of Cytochrome <i>c</i> Peroxidase and Ascorbate Peroxidase

Greg Jensen, Steven W. Bunte, Arieh Warshel et al. · The Journal of Physical Chemistry B · 1998 · 55 citations

Cation Radical Formation, Analogous Tryptophan, Chemistry +21

Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein 1 1Edited by R. Huber

Rabi A. Musah, Gerard M. Jensen, Steven W. Bunte et al. · Journal of Molecular Biology · 2002 · 50 citations

Evolved Specificity, Protein Assembly, Biochemistry +12