How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations. - Tarja Äijänen; Artturi Koivuniemi; Matti Javanainen; Sami Rissanen; Tomasz Róg; Ilpo Vattulainen (PLoS Comput. Biol., 2014)

doGlycans-Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS. - Reinis Danne; Chetan S. Poojari; Hector Martinez-Seara; Sami Rissanen; Fabio Lolicato; Tomasz Róg; Ilpo Vattulainen (J. Chem. Inf. Model., 2017)

Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling. - Tatu Pantsar; Sami Rissanen; Daniel Dauch; Tuomo Laitinen; Ilpo Vattulainen; Antti Poso (PLoS Comput. Biol., 2018)