Scaling molecular dynamics beyond 100,000 processor cores for large‐scale biophysical simulationsJaewoon Jung, Karissa Y. Sanbonmatsu, Marcus Daniels et al.|Journal of Computational Chemistry|2019Cited by 123
Highly Organized but Pliant Active Site of DNA Polymerase β: Compensatory Mechanisms in Mutant Enzymes Revealed by Dynamics Simulations and Energy AnalysesLinjing Yang, Tamar Schlick|Biophysical Journal|2004Cited by 47