Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics. - Mikolai Fajer; Robert V. Swift; James Andrew McCammon (J. Comput. Chem., 2009)

Modeling the pharmacodynamics of passive membrane permeability. - Robert V. Swift; Rommie E. Amaro (J. Comput. Aided Mol. Des., 2011)

Progress towards Automated Kepler Scientific Workflows for Computer-aided Drug Discovery and Molecular Simulations. - Pek U. Ieong; Jesper Sørensen; Prasantha L. Vemu; Celia W. Wong; Özlem Demir; Nadya P. Williams; Jianwu Wang 001; Daniel Crawl; Robert V. Swift; Robert D. Malmstrom; Ilkay Altintas; Rommie E. Amaro (ICCS, 2014)

Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds. - Christopher T. Lee; Jeffrey Comer; Conner Herndon; Nelson Leung 003; Anna Pavlova; Robert V. Swift; Chris Tung; Christopher N. Rowley; Rommie E. Amaro; Christophe Chipot; Yi Wang; James C. Gumbart (J. Chem. Inf. Model., 2016)

Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations. - Tavina L. Offutt; Robert V. Swift; Rommie E. Amaro (J. Chem. Inf. Model., 2016)

Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles. - Robert V. Swift; Siti Azma Jusoh; Tavina L. Offutt; Eric S. Li; Rommie E. Amaro (J. Chem. Inf. Model., 2016)