Benjamin P. Roberts

Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent

Pengfei Li, Benjamin P. Roberts, Dhruva K. Chakravorty et al. · Journal of Chemical Theory and Computation · 2013 · 765 citations

Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein−Ligand Complexes

John C. Faver, Mark L. Benson, Xiao He et al. · Journal of Chemical Theory and Computation · 2011 · 143 citations

Novel Acyclic Diaminocarbene Ligands with Increased Steric Demand and Their Application in Gold Catalysis

Hwimin Seo, Benjamin P. Roberts, Khalil A. Abboud et al. · Organic Letters · 2010 · 81 citations

Wide-Open Flaps Are Key to Urease Activity

Benjamin P. Roberts, Bill R. Miller, Adrián E. Roitberg et al. · Journal of the American Chemical Society · 2012 · 58 citations · Full text

Engineering, Molecular Biology, Molecular Dynamics +16

The Energy Computation Paradox and ab initio Protein Folding

John C. Faver, Mark L. Benson, Xiao He et al. · PLoS ONE · 2011 · 55 citations · Full text

Protein Assembly, Biomolecular Structure Prediction, Structural Bioinformatics +16