Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function. - Wonpil Im; Jinhyuk Lee; Taehoon Kim; Huan Rui (J. Comput. Chem., 2009)

Protegrin-1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations. - Huan Rui; Wonpil Im (J. Comput. Chem., 2010)

Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores. - Kyu Il Lee; Sunhwan Jo; Huan Rui; Bernhard Egwolf; Benoît Roux; Richard W. Pastor; Wonpil Im (J. Comput. Chem., 2012)

CHARMM-GUI Membrane Builder toward realistic biological membrane simulations. - Emilia L. Wu; Xi Cheng; Sunhwan Jo; Huan Rui; Kevin C. Song; Eder M. Dávila-Contreras; Yifei Qi; Jumin Lee; Viviana Monje-Galvan; Richard M. Venable; Jeffery B. Klauda; Wonpil Im (J. Comput. Chem., 2014)

CHARMM-GUI 10 years for biomolecular modeling and simulation. - Sunhwan Jo; Xi Cheng; Jumin Lee; Seonghoon Kim; Sang-Jun Park; Dhilon S. Patel; Andrew H. Beaven; Kyu Il Lee; Huan Rui; Soohyung Park; Hui Sun Lee; Benoît Roux; et al. (J. Comput. Chem., 2017)