Steven K. Burger

Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: Sequential sampling and optimization on the potential of mean force surface

Hao Hu, Zhenyu Lu, Jerry M. Parks et al. · The Journal of Chemical Physics · 2008 · 128 citations

Quadratic string method for determining the minimum-energy path based on multiobjective optimization

Steven K. Burger, Weitao Yang · The Journal of Chemical Physics · 2006 · 121 citations

Numerical Analysis, Mathematical Programming, Large-scale Global Optimization +23

Automated Parametrization of AMBER Force Field Terms from Vibrational Analysis with a Focus on Functionalizing Dinuclear Zinc(II) Scaffolds

Steven K. Burger, Mike Lacasse, Toon Verstraelen et al. · Journal of Chemical Theory and Computation · 2012 · 45 citations

Drug Target, Engineering, Computational Chemistry +18

Practical Calculation of Molecular Acidity with the Aid of a Reference Molecule

Steven K. Burger, Shubin Liu, Paul W. Ayers · The Journal of Physical Chemistry A · 2011 · 38 citations

Practical Calculation, Conjugate Acid, Engineering +14

Sequential quadratic programming method for determining the minimum energy path

Steven K. Burger, Weitao Yang · The Journal of Chemical Physics · 2007 · 34 citations

Numerical Analysis, Mathematical Programming, Amide Hydrolysis +23