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Yuji Sugita

RIKEN Center for Computational Science

60H指数
529论文数
1.7W被引数
收录论文 169
发表时间
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Optimized M-SHAKE Constraint Implementations for GPU-Accelerated Molecular Dynamics: Balancing Precision and Performance Across Architectures针对GPU加速分子动力学中M-SHAKE约束的优化实现：跨架构的精度与性能平衡
errJournal of Computational Chemistry
IF4.8
err2026-09-18
err0
errOAAI
errJaewoon Jung; Diego Ugarte La Torre; Chigusa Kobayashi; Katsuhisa Ozaki; Yuji Sugita
err分享
err收藏
Coarse-Grained Martini 3 Model for Collagen Fibrils粗粒化Martini 3模型用于胶原原纤维
errBiophysical Journal
IF3.1
err2025-10-10
err0
errOAAI
errMatthias Brosz; Johanna Buck; Fabian Grünewald; Debora Monego; Jaewoon Jung; Yuji Sugita; Camilo Aponte-Santamaría; Frauke Gräter
err分享
err收藏
Toward understanding whole enzymatic reaction cycles using multi-scale molecular simulations通过多尺度分子模拟理解完整的酶促反应循环
errCurrent Opinion in Structural Biology
IF7
err2025-09-11
err0
errOAAI
errShingo Ito; Chigusa Kobayashi; Kiyoshi Yagi; Yuji Sugita
err分享
err收藏
CGBack: Diffusion Model for Backmapping Large-Scale and Complex Coarse-Grained Molecular SystemsCGBack: 大规模复杂粗粒化分子系统的反向映射扩散模型
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-09-01
err0
PREAI
errUgarte La Torre, Diego; Sugita, Yuji
err分享
err收藏
Editorial overview: Toward cellular-scale modeling: Bigger and disordered编者按概述：迈向细胞尺度的建模：更大且无序
errCurrent Opinion in Structural Biology
IF7
err2025-07-17
err0
PREAI
errYuji Sugita; Robert J. Woods
err分享
err收藏
High-performance QM/MM Enhanced Sampling Molecular Dynamics Simulations with GENESIS SPDYN and QSimulate-QM高性能QM/MM增强采样分子动力学模拟，使用GENESIS SPDYN和QSimulate-QM。
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-02
err0
errOAAI
errYagi, Kiyoshi; Gunst, Klaas; Shiozaki, Toru; Sugita, Yuji
err分享
err收藏
Rational Design Principles for De Novo α-Helical Peptide Barrels with Dynamic Conductive Channels理性设计原则：用于构建具有动态导电通道的从头设计α-螺旋肽桶
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-03-28
err0
PREAI
errNiitsu, Ai; Thomson, Andrew R.; Scott, Alistair J.; Sengel, Jason T.; Jung, Jaewoon; Mahendran, Kozhinjampara R.; Sodeoka, Mikiko; Bayley, Hagan; Sugita, Yuji; Woolfson, Derek N.; Wallace, Mark I.
err分享
err收藏
Langevin integration for isothermal-isobaric condition with a large time step
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-14
err0
PREAI
errJung, Jaewoon; Sugita, Yuji
err分享
err收藏
Structural dynamics of a designed peptide pore under an external electric field外电场作用下设计的肽孔的结构动力学
errBIOPHYSICAL CHEMISTRY
IF2.2
err2025-03-01
err0
PREAI
errNiitsu, Ai; Jung, Jaewoon; Sugita, Yuji
err分享
err收藏
Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual Learning
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
errOAAI
errLei, Yao-Kun; Yagi, Kiyoshi; Sugita, Yuji
err分享
err收藏
Allosteric changes in the conformational landscape of Src kinase upon substrate bindingSrc激酶在底物结合后构象景观的别构变化
errJournal of Molecular Biology
IF4.5
err2024-11-19
err0
errOAAI
errSong-Ho Chong; Hiraku Oshima; Yuji Sugita
err分享
err收藏
Learning QM/MM potential using equivariant multiscale model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-03
err7
errOAAI
errLei, Yao-Kun; Yagi, Kiyoshi; Sugita, Yuji
err分享
err收藏
GENESIS CGDYN: large-scale coarse-grained MD simulation with dynamic load balancing for heterogeneous biomolecular systems
errNATURE COMMUNICATIONS
IF15.7
err2024-04-20
err4
errOAAI
errJung, Jaewoon; Tan, Cheng; Sugita, Yuji
err分享
err收藏
Molecular dynamics in multidimensional space explains how mutations affect the association path of neomycin to a riboswitch
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2024-04-05
err0
PREAI
errChyzy, Piotr; Kulik, Marta; Shinobu, Ai; Re, Suyong; Sugita, Yuji; Trylska, Joanna
err分享
err收藏
Free-energy landscapes of transmembrane homodimers by bias-exchange adaptively biased molecular dynamics
errBIOPHYSICAL CHEMISTRY
IF2.2
err2024-04-01
err3
errOAAI
errIto, Shingo; Sugita, Yuji
err分享
err收藏
Deciphering the Multi-state Conformational Equilibrium of HDM2 in the Regulation of p53 Binding: Perspectives from Molecular Dynamics Simulation and NMR Analysis解读HDM2在p53结合调控中的多态构象平衡: 分子动力学模拟和NMR分析的观点
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-03-29
err0
PREAI
errWatanabe, Kazuki; Zhao, Qingci; Iwatsuki, Ryosuke; Fukui, Ryota; Ren, Weitong; Sugita, Yuji; Nishida, Noritaka
err分享
err收藏
Pseudo-Luciferase Activity of the SARS-CoV-2 Spike Protein for Cypridina Luciferin
errACS CENTRAL SCIENCE
IF10.4
err2024-01-17
err3
errOAAI
errNishihara, Ryo; Dokainish, Hisham M.; Kihara, Yoshiki; Ashiba, Hiroki; Sugita, Yuji; Kurita, Ryoji
err分享
err收藏
SPANA: Spatial decomposition analysis for cellular-scale molecular dynamics simulations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-11-15
err2
PREAI
errYu, Isseki; Mori, Takaharu; Matsuoka, Daisuke; Surblys, Donatas; Sugita, Yuji
err分享
err收藏
Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayers
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-15
err1
errOAAI
errLa Torre, Diego Ugarte; Takada, Shoji; Sugita, Yuji
err分享
err收藏
Structural effects of spike protein D614G mutation in SARS-CoV-2
errBIOPHYSICAL JOURNAL
IF3.1
err2023-07-01
err9
errOAAI
errDokainish, Hisham M.; Sugita, Yuji
err分享
err收藏

研究方向

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合作学者
合作期刊
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Stephen T. Holgate
H 指数: 142 · 论文数: 1.6K
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A
Arieh Warshel
H 指数: 123 · 论文数: 594
Y
Yoshinori Ohsumi
H 指数: 117 · 论文数: 341
A
Alexander D. MacKerell
H 指数: 107 · 论文数: 769
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