A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent. - Yury N. Vorobjev; Harold A. Scheraga (J. Comput. Chem., 1997)

Blind docking method combining search of low-resolution binding sites with ligand pose refinement by molecular dynamics-based global optimization. - Yury N. Vorobjev (J. Comput. Chem., 2010)

Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pH. - Yury N. Vorobjev (J. Comput. Chem., 2012)

MDTRA: A molecular dynamics trajectory analyzer with a graphical user interface. - Alexander V. Popov; Yury N. Vorobjev; Dmitry O. Zharkov (J. Comput. Chem., 2013)