Robert K. Szilagyi

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 3

Top Topics

Predicting Protein

Secondary Structure

Computational Models

Top Venues

J. Comput. Chem.

Publications

Manjinder Kour, Attila Táborosi, Eric S. Boyd, Robert K. Szilagyi
Development of molecular cluster models to probe pyrite surface reactivity. J. Comput. Chem. 44 (32) (2023)
Rebecca Hanscam, Eric M. Shepard, Joan B. Broderick, Valérie Copié, Robert K. Szilagyi
Secondary structure analysis of peptides with relevance to iron-sulfur cluster nesting. J. Comput. Chem. 40 (2) (2019)
Travis V. Harris, Robert K. Szilagyi
Protein environmental effects on iron-sulfur clusters: A set of rules for constructing computational models for inner and outer coordination spheres. J. Comput. Chem. 37 (18) (2016)
Travis V. Harris, Robert K. Szilagyi
Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clusters. J. Comput. Chem. 35 (7) (2014)
Alexios Grigoropoulos, Robert K. Szilagyi
evaluation of proposed biosynthetic pathways for the unique dithiolate ligand of the H-cluster of [FeFe]-hydrogenase. J. Comput. Chem. 32 (15) (2011)
Robert K. Szilagyi, Mark A. Winslow
On the accuracy of density functional theory for iron - sulfur clusters. J. Comput. Chem. 27 (12) (2006)