Yuji Sugita

机构：Nippon Soken (Japan), RIKEN, RIKEN Advanced Science Institute, RIKEN Center for Computational Science, The University of Tokyo · ORCID：0000-0001-9738-9216

发表论文 529 篇 · 总被引 18091 次 · h-index 62

代表论文

• The need to implement FAIR principles in biomolecular simulations (2025 · Nature Methods · 被引 63)
• Rational Design Principles for De Novo α-Helical Peptide Barrels with Dynamic Conductive Channels (2025 · Journal of the American Chemical Society · 被引 12)
• Toward understanding whole enzymatic reaction cycles using multi-scale molecular simulations (2025 · Current Opinion in Structural Biology · 被引 9)
• High-performance QM/MM Enhanced Sampling Molecular Dynamics Simulations with GENESIS SPDYN and QSimulate-QM (2025 · Journal of Chemical Theory and Computation · 被引 8)
• CGBack: Diffusion Model for Backmapping Large-Scale and Complex Coarse-Grained Molecular Systems (2025 · Journal of Chemical Information and Modeling · 被引 7)
• Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual Learning (2025 · Journal of Chemical Theory and Computation · 被引 7)