Ab initio SCF and Møller - plesset studies on hexafluorides of selenium and tellurium. - Mariusz Klobukowski (J. Comput. Chem., 1993)

Benchmarking of Model Core Potentials: Application to the Halogen Complexes of Group 4 Metals. - Stephen A. Decker; Mariusz Klobukowski (J. Chem. Inf. Comput. Sci., 2001)

Development of new pseudopotential methods: Improved model core potentials for the first-row transition metals. - Christopher C. Lovallo; Mariusz Klobukowski (J. Comput. Chem., 2003)

Improved model core potentials for the second- and third-row transition metals. - Christopher C. Lovallo; Mariusz Klobukowski (J. Comput. Chem., 2004)

Revised model core potentials of s-block elements. - Hidenori Anjima; Shinya Tsukamoto; Hirotoshi Mori; Masaki Mine; Mariusz Klobukowski; Eisaku Miyoshi (J. Comput. Chem., 2007)

Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A = O, S and X = Br, I). - Tao Zeng; Z. Jamshidi; Hirotoshi Mori; Eisaku Miyoshi; Mariusz Klobukowski (J. Comput. Chem., 2007)

Free Energy Calculations on the Binding of Colchicine and Its Derivatives with the α/β-Tubulin Isoforms. - Jonathan Y. Mane; Mariusz Klobukowski; J. Torin Huzil; Jack A. Tuszynski (J. Chem. Inf. Model., 2008)

Detailed Per-residue Energetic Analysis Explains the Driving Force for Microtubule Disassembly. - Ahmed T. Ayoub; Mariusz Klobukowski; Jack A. Tuszynski (PLoS Comput. Biol., 2015)

A search for the physical basis of the genetic code. - S. Arbabi Moghadam; Mariusz Klobukowski; Jack A. Tuszynski (Biosyst., 2020)

Testing amino acid-codon affinity hypothesis using molecular docking. - S. Arbabi Moghadam; Jordane Preto; Mariusz Klobukowski; Jack A. Tuszynski (Biosyst., 2020)