Kun Song

The unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structure.

D. Raleigh, V. Hornak, Asim Okur, 2006, Journal of molecular biology.

Computational analysis of the binding mode of 8-oxo-guanine to formamidopyrimidine-DNA glycosylase

V. Hornak, A. Grollman, Kun Song, 2021 .

An Improved Reaction Coordinate for Nucleic Acid Base Flipping Studies.

C. Simmerling, Christina Bergonzo, A. Grollman, 2009, Journal of chemical theory and computation.

Computational analysis of the mode of binding of 8-oxoguanine to formamidopyrimidine-DNA glycosylase.

V. Hornak, C. Simmerling, A. Grollman, 2006, Biochemistry.

Applying computational methods in the study of biomolecular systems: The recognition mechanism of DNA repair enzyme Fpg

Kun Song, Kun Song, 2007 .

Molecular mechanics parameters for the FapydG DNA lesion

Kun Song, Viktor Hornak, Carlos De Los Santos, 2008, J. Comput. Chem..

Molecular simulations reveal a common binding mode for glycosylase binding of oxidatively damaged DNA lesions.

C. Simmerling, A. Grollman, Kun Song, 2007, Journal of the American Chemical Society.

Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model.

Asim Okur, Lauren Wickstrom, Melinda Layten, 2006, Journal of chemical theory and computation.

Structural insights for designed alanine‐rich helices: Comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation

C. Simmerling, R. Fesinmeyer, N. Andersen, 2008, Biopolymers.