An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis. - Robert A. Distasio Jr.; Ryan P. Steele; Young Min Rhee; Yihan Shao; Martin Head-Gordon (J. Comput. Chem., 2007)

Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model. - Hyun Woo Kim 004; Young Min Rhee (J. Comput. Chem., 2012)

Efficiently Transplanting Potential Energy Interpolation Database between Two Systems: Bacteriochlorophyll Case with FMO and LH2 Complexes. - Kwang Hyun Cho; Seyoung Chung; Young Min Rhee (J. Chem. Inf. Model., 2019)

Modeling Charge Flux by Interpolating Atomic Partial Charges. - Seung Soo Kim; Young Min Rhee (J. Chem. Inf. Model., 2019)

Molecular mechanism of binding between a therapeutic RNA aptamer and its protein target VEGF: A molecular dynamics study. - Mahroof Kalathingal; Young Min Rhee (J. Comput. Chem., 2023)