Jaewoon Jung, Chigusa Kobayashi, Yuji Sugita. Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer. Journal of Computational Chemistry. 2023. 44. 20. 1740-1749
Yasuhiro Matsunaga, Motoshi Kamiya, Hiraku Oshima, Jaewoon Jung, Shingo Ito, Yuji Sugita. Use of multistate Bennett acceptance ratio method for free-energy calculations from enhanced sampling and free-energy perturbation. Biophysical Reviews. 2022. 14. 6. 1503-1512
Cheng Tan, Jaewoon Jung, Chigusa Kobayashi, Diego Ugarte La Torre, Shoji Takada, Yuji Sugita. Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations. PLOS Computational Biology. 2022. 18. 4. e1009578-e1009578
Hisham M Dokainish, Suyong Re, Takaharu Mori, Chigusa Kobayashi, Jaewoon Jung, Yuji Sugita. The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein. eLife. 2022. 11