Empirical prediction of protein pKavalues with residue mutation. - Steven K. Burger; Paul W. Ayers (J. Comput. Chem., 2011)

Quantum Mechanics/Molecular Mechanics Strategies for Docking Pose Refinement: Distinguishing between Binders and Decoys in Cytochrome c Peroxidase. - Steven K. Burger; David C. Thompson 002; Paul W. Ayers (J. Chem. Inf. Model., 2011)

Efficient optimization of van der Waals parameters from bulk properties. - Steven K. Burger; G. Andrés Cisneros (J. Comput. Chem., 2013)

Efficient parameterization of torsional terms for force fields. - Steven K. Burger; Paul W. Ayers; Jeremy Schofield (J. Comput. Chem., 2014)

Drug release by pH-responsive molecular tweezers: Atomistic details from molecular modeling. - Ahmed A. K. Mohammed; Steven K. Burger; Paul W. Ayers (J. Comput. Chem., 2014)