Travis Mackoy

viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations

Travis Mackoy, Bharat Kale, Michael E. Papka et al. · Computer Physics Communications · 2021 · 70 citations

Natural Sciences, Chemistry, Physics +13

Problems of Robustness in Poisson–Boltzmann Binding Free Energies

Robert C. Harris, Travis Mackoy, Márcia O. Fenley · Journal of Chemical Theory and Computation · 2015 · 18 citations · Full text

Natural Sciences, Biophysics, Physics +17

Numerical Optimization of a Walk-on-Spheres Solver for the Linear Poisson-Boltzmann Equation

Travis Mackoy, Robert C. Harris, J. Harlan Johnson et al. · Communications in Computational Physics · 2013 · 15 citations

Natural Sciences, Chemistry, Physics +17

Temperature Dependence of Static Structure Factor Peak Intensities for a Pyrrolidinium-Based Ionic Liquid

Travis Mackoy, Nicholas A. Mauro, Ralph A. Wheeler · The Journal of Physical Chemistry B · 2019 · 11 citations

Natural Sciences, Chemistry, Physics +16