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Yuji Sugita

Professor

University of Tokyo

Japan

Research Interests

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Professors in Japan Professors in Condensed Matter Physics Condensed Matter Physics professors in Japan

Articles (20)

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Collaborators (15)

Masaaki Fujii

Professor

Tokyo Institute of Technology

JAPAN

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Ryoji Kurita

National Institute of Advanced Industrial Science and Technology (AIST)

JAPAN

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Ai Shinobu

Specially appointer associate professor

Osaka University

JAPAN

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Joanna Trylska

Professor at University of Warsaw

University of Warsaw

POLAND

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Katsuhisa Ozaki

Shibaura Institute of Technology

JAPAN

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Derek Woolfson

Academic , Professor of Chemistry and Biochemistry

University of Bristol

UNITED KINGDOM

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Jaewoon Jung

RIKEN

JAPAN

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Andrew Thomson

Lecturer

University of Glasgow

UNITED KINGDOM

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Noritaka Nishida

Chiba University

JAPAN

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Hiroshi Ochiai

Associate professor

Kyushu University

JAPAN

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Kiyoshi Yagi

Professor

University of Tsukuba

JAPAN

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Frauke Gräter

Director

Heidelberg University

GERMANY

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Hiroki Otaki

Nagasaki University

JAPAN

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Marta Kulik

Assistant Professor

University of Warsaw

POLAND

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Piotr Chyży

Researcher

University of Warsaw

POLAND

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Yuji Sugita

Research Interests

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Articles (20)

Impact of Inhibitor Size and Flexibility on the Binding Pathways to c-Src Kinase

Optimized M‐SHAKE Constraint Implementations for GPU‐Accelerated Molecular Dynamics: Balancing Precision and Performance Across Architectures

Toward understanding whole enzymatic reaction cycles using multi-scale molecular simulations

High-performance QM/MM Enhanced Sampling Molecular Dynamics Simulations with GENESIS SPDYN and QSimulate-QM

Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual Learning

Rational Design Principles for De Novo α-Helical Peptide Barrels with Dynamic Conductive Channels

In silico nanoscope to study the interplay of genome organization and transcription regulation

CGBack: Diffusion Model for Backmapping Large-Scale and Complex Coarse-Grained Molecular Systems

An Empirical Biasing Force Constant to Minimize Overfitting in Cryo-EM Flexible Fitting Refinement

The distortion–push mechanism for the γ subunit rotation in F 1 -ATPase

ColBuilder: flexible structure generation of crosslinked collagen fibrils

Langevin integration for isothermal–isobaric condition with a large time step

Scaling molecular dynamics for large-scale simulation of biological systems on AMD CPU/GPU supercomputers: Lessons from LUMI

Deciphering the Multi-state Conformational Equilibrium of HDM2 in the Regulation of p53 Binding: Perspectives from Molecular Dynamics Simulation and NMR Analysis

Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins

Learning QM/MM potential using equivariant multiscale model

Molecular dynamics in multidimensional space explains how mutations affect the association path of neomycin to a riboswitch

Pseudo-Luciferase Activity of the SARS-CoV-2 Spike Protein for Cypridina Luciferin

GENESIS CGDYN: large-scale coarse-grained MD simulation with dynamic load balancing for heterogeneous biomolecular systems

SPANA: Spatial decomposition analysis for cellular‐scale molecular dynamics simulations

Collaborators (15)

Masaaki Fujii

Ryoji Kurita

Ai Shinobu

Joanna Trylska

Katsuhisa Ozaki

Derek Woolfson

Jaewoon Jung

Andrew Thomson

Noritaka Nishida

Hiroshi Ochiai

Kiyoshi Yagi

Frauke Gräter

Hiroki Otaki

Marta Kulik

Piotr Chyży

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