Jaewoon Jung

Publication Activity (10 Years)

Years Active: 2011-2023
Publications (10 Years): 7

Top Topics

Parallel Implementation

Biologically Inspired Design

Molecular Dynamics

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

PLoS Comput. Biol.

Publications

Jaewoon Jung, Chigusa Kobayashi, Yuji Sugita
Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer. J. Comput. Chem. 44 (20) (2023)
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 Comput. Biol. 18 (4) (2022)
Jaewoon Jung, Chigusa Kobayashi, Kento Kasahara, Cheng Tan, Akiyoshi Kuroda, Kazuo Minami, Shigeru Ishiduki, Tatsuo Nishiki, Hikaru Inoue, Yutaka Ishikawa, Michael Feig, Yuji Sugita
New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems. J. Comput. Chem. 42 (4) (2021)
Jaewoon Jung, Wataru Nishima, Marcus Daniels, Gavin Bascom, Chigusa Kobayashi, Adetokunbo Adedoyin, Michael E. Wall, Anna Lappala, Dominic Phillips, William Fischer, Chang-Shung Tung, Tamar Schlick, Yuji Sugita, Karissa Y. Sanbonmatsu
Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations. J. Comput. Chem. 40 (21) (2019)
Chigusa Kobayashi, Jaewoon Jung, Yasuhiro Matsunaga, Takaharu Mori, Tadashi Ando, Koichi Tamura, Motoshi Kamiya, Yuji Sugita
GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms. J. Comput. Chem. 38 (25) (2017)
Jaewoon Jung, Yuji Sugita
Multiple program/multiple data molecular dynamics method with multiple time step integrator for large biological systems. J. Comput. Chem. 38 (16) (2017)
Jaewoon Jung, Chigusa Kobayashi, Toshiyuki Imamura, Yuji Sugita
Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations. Comput. Phys. Commun. 200 (2016)
Jaewoon Jung, Takaharu Mori, Yuji Sugita
Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations. J. Comput. Chem. 35 (14) (2014)
Jaewoon Jung, Takaharu Mori, Yuji Sugita
Efficient lookup table using a linear function of inverse distance squared. J. Comput. Chem. 34 (28) (2013)
Suyong Re, Takashi Imai, Jaewoon Jung, Seiichiro Ten-no, Yuji Sugita
Geometrically associative yet electronically dissociative character in the transition state of enzymatic reversible phosphorylation. J. Comput. Chem. 32 (2) (2011)