Merz, Kenneth M.

The Amber biomolecular simulation programs

Case, D. A., Cheatham, T. E., Darden, T., Gohlke, H., Luo, R., Merz, K. M., Onufriev, A., Simmerling, C., Wang, B., & Woods, R. J. (2005) · Journal of Computational Chemistry

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 9,535

Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)

Peters, M. B., Yang, Y., Wang, B., Füsti-Molnár, L., Weaver, M. N., & Merz, K. M. (2010) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsAdvanced Chemical Physics Studies

Cited by 501

Using AMBER18 for Relative Free Energy Calculations

Song, L. F., Lee, T.-S., Zhu, C., York, D. M., & Merz, K. M. (2019) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsAdvanced Chemical Physics Studies

Cited by 234

A critical overview of computational approaches employed for COVID-19 drug discovery

Muratov, E. N., Amaro, R., Andrade, C. H., Brown, N., Ekins, S., Fourches, D., Isayev, O., Kozakov, D., Medina-Franco, J. L., Merz, K. M., et al. (2021) · Chemical Society Reviews

Computational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Research

Cited by 206

Further analysis and comparative study of intermolecular interactions using dimers from the S22 database

Molnar, L. F., He, X., Wang, B., & Merz, K. M. (2009) · The Journal of Chemical Physics

Advanced Chemical Physics StudiesCrystallography and molecular interactions

Cited by 123

Implementation of Protocols To Enable Doctoral Training in Physical and Computational Chemistry of a Blind Graduate Student

Minkara, M. S., Weaver, M. N., Gorske, J., Bowers, C. R., & Merz, K. M. (2015) · Journal of Chemical Education

Disability Education and EmploymentDigital Accessibility for Disabilities

Cited by 18