Get started
Award

21H05249

Funded outputs count: 17
Funder award ID: 21H05249
OpenAlex ID: G7122904584
Enzymes can activate and mobilize dense biomolecular condensates across scales
2026 · Mirco Dindo, Jakob Metson, et al. · Nature Communications · 8
PDF
Optimized M‐ SHAKE Constraint Implementations for GPU ‐Accelerated Molecular Dynamics: Balancing Precision and Performance Across Architectures
2026 · Jaewoon Jung, Diego Ugarte La Torre, et al. · Journal of Computational Chemistry
PDF
Impact of Inhibitor Size and Flexibility on the Binding Pathways to c-Src Kinase
2026 · Ai Shinobu, Suyong Re, et al. · The Journal of Physical Chemistry Letters · 1
PDF
Hero11 Unlocks TDP-43 Condensate Fluidity via Targeting Inter-Helical Interactions
2026 · Cheng Tan, Jaewoon Jung, et al. · bioRxiv (Cold Spring Harbor Laboratory)
PDF
The distortion–push mechanism for the γ subunit rotation in F 1 -ATPase
2025 · Masahiro Motohashi, Mao Oide, et al. · Proceedings of the National Academy of Sciences · 3
Dynamic Shielding and Allosteric Modulation of Erythropoietin by Glycosylation
2025 · Tomoaki Yagi, Haeri Im, et al. · bioRxiv (Cold Spring Harbor Laboratory)
PDF
Heterogeneous condensates of transcription factors in embryonic stem cells: Molecular simulations
2025 · Azuki Mizutani, Cheng Tan, et al. · Biophysical Journal · 4
GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models
2024 · Jaewoon Jung, Kiyoshi Yagi, et al. · The Journal of Physical Chemistry B · 45
GENESIS CGDYN: large-scale coarse-grained MD simulation with dynamic load balancing for heterogeneous biomolecular systems
2024 · Jaewoon Jung, Cheng Tan, et al. · Nature Communications · 39
PDF
SPANA : Spatial decomposition analysis for cellular‐scale molecular dynamics simulations
2023 · Isseki Yu, Takaharu Mori, et al. · Journal of Computational Chemistry · 4
Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer
2023 · Jaewoon Jung, Chigusa Kobayashi, et al. · Journal of Computational Chemistry · 6
PDF
Towards de novo design of transmembrane α-helical assemblies using structural modelling and molecular dynamics simulation
2023 · Ai Niitsu, Yuji Sugita · Physical Chemistry Chemical Physics · 15
PDF
Development of hidden Markov modeling method for molecular orientations and structure estimation from high-speed atomic force microscopy time-series images
2022 · Tomonori Ogane, Daisuke Noshiro, et al. · PLoS Computational Biology · 8
PDF
Modified Protein-Water Interactions in CHARMM36m for Thermodynamics and Kinetics of Proteins in Dilute and Crowded Solutions
2022 · Daiki Matsubara, Kento Kasahara, et al. · Molecules · 14
PDF
Practical Protocols for Efficient Sampling of Kinase-Inhibitor Binding Pathways Using Two-Dimensional Replica-Exchange Molecular Dynamics
2022 · Ai Shinobu, Suyong Re, et al. · Frontiers in Molecular Biosciences · 9
Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations
2022 · Cheng Tan, Jaewoon Jung, et al. · PLoS Computational Biology · 80
PDF
The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein
2022 · Hisham M. Dokainish, Suyong Re, et al. · eLife · 68
Year
Topic