Global minimization on rugged energy landscapes. - Patricia Amara; Jianpeng Ma; John E. Straub (Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding, 1995)

Global optimization using bad derivatives: Derivative-free method for molecular energy minimization. - Ioan Andricioaei; John E. Straub (J. Comput. Chem., 1998)

Exploiting Tsallis Statistics. - John E. Straub; Ioan Andricioaei (Computational Molecular Dynamics, 1999)

Gravitational smoothing as a global optimization strategy. - T. W. Whitfield; John E. Straub (J. Comput. Chem., 2002)

Structural and dynamical analysis of the hydration of the Alzheimer's beta-amyloid peptide. - Francesca Massi; John E. Straub (J. Comput. Chem., 2003)

Simulated Annealing Methods in Protein Folding. - Ioan Andricioaei; John E. Straub (Encyclopedia of Optimization, 2009)

On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics. - Tetsuro Nagai; George A. Pantelopulos; Takuya Takahashi; John E. Straub (J. Comput. Chem., 2016)

Exploring the Structure and Stability of Cholesterol Dimer Formation in Multicomponent Lipid Bilayers. - Asanga Bandara; Afra Panahi; George A. Pantelopulos; John E. Straub (J. Comput. Chem., 2019)

Enhanced sampling method in molecular simulations using genetic algorithm for biomolecular systems. - Yoshitake Sakae; John E. Straub; Yuko Okamoto (J. Comput. Chem., 2019)