Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests. - George A. Kaminski; Harry A. Stern; Bruce J. Berne; Richard A. Friesner; Yixiang X. Cao; Robert B. Murphy; Ruhong Zhou; Thomas A. Halgren (J. Comput. Chem., 2002)

A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations. - George A. Kaminski; Richard A. Friesner; Ruhong Zhou (J. Comput. Chem., 2003)

Quality of random number generators significantly affects results of Monte Carlo simulations for organic and biological systems. - Timothy H. Click; Aibing Liu; George A. Kaminski (J. Comput. Chem., 2011)

Importance of electrostatic polarizability in calculating cysteine acidity constants and copper(I) binding energy of Bacillus subtilis CopZ. - Timothy H. Click; Sergei Y. Ponomarev; George A. Kaminski (J. Comput. Chem., 2012)

Calculating pKa values for substituted phenols and hydration energies for other compounds with the first-order fuzzy-border continuum solvation model. - Ity Sharma; George A. Kaminski (J. Comput. Chem., 2012)

Polarizable simulations with second order interaction model (POSSIM) force field: Developing parameters for protein side-chain analogues. - Xinbi Li; Sergei Y. Ponomarev; Qina Sa; Daniel L. Sigalovsky; George A. Kaminski (J. Comput. Chem., 2013)

Developing multisite empirical force field models for Pt(II) and cisplatin. - John P. Cvitkovic; George A. Kaminski (J. Comput. Chem., 2017)

Using polarizable POSSIM force field and fuzzy-border continuum solvent model to calculate pKa shifts of protein residues. - Ity Sharma; George A. Kaminski (J. Comput. Chem., 2017)

PKA17 - A Coarse-Grain Grid-Based Methodology and Web-Based Software for Predicting Protein pK a Shifts. - John P. Cvitkovic; Connor D. Pauplis; George A. Kaminski (J. Comput. Chem., 2019)