Robert E. Duke

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Publications

Citations

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Active since

2003

Affiliations

National Institute of Environmental Health Sciences(Current)

University of North Carolina at Chapel Hill

Research Triangle Park Foundation

Wayne State University

Rutgers, The State University of New Jersey

Robert E. Duke is an author at National Institute of Environmental Health Sciences specializing in natural sciences, chemistry, and computational chemistry.

Publications per year

2003–2025

Publications

Amber 2021: Reference Manual

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Open Repository and Bibliography (University of Luxembourg) · 2021 · 171 citations

Natural Sciences, Chemistry, Safety Engineering +1

Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility

David S. Cerutti, Robert E. Duke, Thomas A. Darden et al. · Journal of Chemical Theory and Computation · 2009 · 165 citations · Full text

Natural Sciences, Chemistry, Physics +15

Recent Developments in Amber Biomolecular Simulations

David A. Case, David S. Cerutti, Vinícius Wilian D. Cruzeiro et al. · Journal of Chemical Information and Modeling · 2025 · 114 citations · Full text

Natural Sciences, Bioinformatics, Biophysics +13

Trypsin‐ligand binding free energies from explicit and implicit solvent simulations with polarizable potential

Dian Jiao, Jiajing Zhang, Robert E. Duke et al. · Journal of Computational Chemistry · 2009 · 95 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Simulations of a Protein Crystal with a High Resolution X-ray Structure: Evaluation of Force Fields and Water Models

David S. Cerutti, Robert E. Duke, David A. Case · The Journal of Physical Chemistry B · 2010 · 90 citations

Natural Sciences, Biology, Biophysics +17

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