Journal Paper

• Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake, Yutaka Akiyama. QUBO Problem Formulation of Fragment-Based Protein–Ligand Flexible Docking, Entropy, MDPI, 26, Apr. 2024.  Official location  

International Conference (Reviewed)

• Taisuke Boku, Masatake Sugita, Ryohei Kobayashi, Shinnosuke Furuya, Takuya Fujie, Masahito Ohue, Yutaka Akiyama. Improving Performance on Replica-Exchange Molecular Dynamics Simulations by Optimizing GPU Core Utilization, 53rd International Conference on Parallel Processing (ICPP2024), Proceedings of the 53rd International Conference on Parallel Processing (ICPP2024), Association for Computing Machinery, Page 1082-1091, Aug. 2024.  Official location  

International Conference (Not reviewed / Unknown)

• Masatake Sugita, Takuya Fujie, Yudai Noso, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama. Development and Application of a Protocol for Predicting Membrane Permeability of Cyclic Peptides Based on Molecular Dynamics Simulations, 21st IUPAB and 62nd BSJ joint congress 2024, American Chemical Society, June 2024.  Official location  

Domestic Conference (Not reviewed / Unknown)

• Masatake Sugita, Takuya Fujie, Yudai Noso, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama. 拡張アンサンブル分子動力学シミュレーションに基づいた環状ペプチドの膜透過性予測技術の開発と応用, 第24回日本蛋白質科学会年会, June 2024.

Other Publication

• Yudai Noso, Masatake Sugita, Takuya Fujie, Keisuke Yanagisawa, Hirokuni AKIYAMA. 分子動力学シミュレーション軌跡データから抽出した位置依存特徴量を活用した環状ペプチドの膜透過性予測, 第147回MPS・第77回BIO合同研究発表会, 研究報告バイオ情報学（BIO）, 情報処理学会, 2024-BIO-77, 16, 1-8, Mar. 2024.

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