Huafeng Xu

Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters

K. J. Bowers, Federico D. Sacerdoti, John K. Salmon et al. · 2006 · 2.4K citations

Cluster Computing, Engineering, Computer Architecture +21

Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

K. J. Bowers, David E. Chow, Huafeng Xu et al. · 2006 · 1.6K citations

Cluster Computing, Engineering, Computer Architecture +19

Pathway and mechanism of drug binding to G-protein-coupled receptors

Ron O. Dror, Albert C. Pan, Daniel H. Arlow et al. · Proceedings of the National Academy of Sciences · 2011 · 749 citations

Drug Target, Peptide Science, Drug Entry +21

Activation mechanism of the<i>β</i>₂-adrenergic receptor

Ron O. Dror, Daniel H. Arlow, Paul Maragakis et al. · Proceedings of the National Academy of Sciences · 2011 · 625 citations

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

Tai‐Sung Lee, Bryce K. Allen, Timothy J. Giese et al. · Journal of Chemical Information and Modeling · 2020 · 359 citations · Full text