MSTor version 2013: A new version of the computer code for the multi-structural torsional anharmonicity, now with a coupled torsional potential. - Jingjing Zheng; Rubén Meana-Pañeda; Donald G. Truhlar (Comput. Phys. Commun., 2013)

A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge. - Mahdi Ghorbani; Phillip S. Hudson; Michael R. Jones; Félix Aviat; Rubén Meana-Pañeda; Jeffery B. Klauda; Bernard R. Brooks (J. Comput. Aided Mol. Des., 2021)

The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetry. - Samarjeet Prasad; Andrew C. Simmonett; Rubén Meana-Pañeda; Bernard R. Brooks (J. Comput. Chem., 2021)

Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. - Phillip S. Hudson; Félix Aviat; Rubén Meana-Pañeda; Luke C. Warrensford; Benjamin C. Pollard; Samarjeet Prasad; Michael R. Jones; H. Lee Woodcock III; Bernard R. Brooks (J. Comput. Aided Mol. Des., 2022)

Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement. - Rubén Meana-Pañeda; Jingjing Zheng; Junwei Lucas Bao; Shuxia Zhang; Benjamin J. Lynch; José C. Corchado; Yao-Yuan Chuang; Patton L. Fast; Wei-Ping Hu; Yi-Ping Liu; Gillian C. Lynch; Kiet A. Nguyen; et al. (Comput. Phys. Commun., 2024)