第3回 アジア太平洋理論計算化学会議 "The 3rd Asian Pacific Conference on Theoretical & Computational Chemistry" ベストポスター賞
所属学会
セルロース学会 日本化学会 日本生物物理学会 極限環境生物学会 アメリカ化学会
研究テーマ
細胞内分子クラウディング環境の大規模分子動力学シミュレーションとその微視的解明
深海極限環境生物の生体防御メカニズムの分子機構
複雑な溶液状態を理解するための理論開発
出版物
（論文）
Isseki Yu*, Kyoko Nakada, Masataka Nagaoka
Spatio-Temporal Characteristics of Transfer Free Energy of Apomyoglobin into the Crowding Condition with Trimethylamine N-oxide: A Study with Three Types of the Kirkwood-Buff Integral
Journal of Physical Chemistry B, 116, 4080−4088, (2012).
Isseki Yu*, Masayoshi Takayanagi, Masataka Nagaoka
Influence of Hydrostatic Pressure on Dynamics and Spatial Distribution of Protein Partial Molar Volume: Time-Resolved Surficial Kirkwood-Buff Approach
Journal of Physical Chemistry B, 114, 12392-12397, (2010)
Isseki Yu*, Masayoshi Takayanagi, Masataka Nagaoka
Intrinsic Alterations in the Partial Molar Volume on the Protein Denaturation:
Surficial Kirkwood−Buff Approach
Journal of Physical Chemistry B, 113, 3543-3547, (2009)
Isseki Yu, Masataka Nagaoka*
Surficial Kirkwood-Buff Approach on the Preferential Interaction of
Urea and Ectoine with Protein
Proceedings of International Symposium on Frontiers of Computational Science
2008, 9-14.
Eckhard Hitzer*, Kanta Tachibana, Sven Buchholz and Isseki Yu
Carrier Method for the General Evaluation and Control of Pose,
Molecular Conformation, Tracking, etc.
Advances in Applied Clifford Algebras Vol. 19(2), pp. 339-364 (2009)
Isseki Yu, Masataka Nagaoka*
Microscopic Understanding of Preferential Exclusion of Compatible Solute Ectoine:
Direct Interaction and Hydration Alteration
Journal of Physical Chemistry B, 111, 10231-10238, (2007).
Isseki Yu , Masataka Nagaoka*
Elongation of Water Residence Time at the Protein Interior in
Aqueous Solution with Ectoine
Frontiers of Computational Science (Springer, Berlin), 277-281, (2007).
Masayoshi Takayanagi, Isseki Yu, Masataka Nagaoka*
Theoretical Study on Stabilities of N-terminal Partial Chains from Apo-Myoglobin
Chemical Physics Letters, 421, 300-304, (2006).
Isseki Yu, Masataka Nagaoka*
Slowdown of Water Diffusion around Protein in Aqueous Solution with Ectoine
Chemical Physics Letters, 388, 316-321, (2004).
Isseki Yu, Kazuyosi Ueda*, Haruo Nakayama
Molecular Modeling of the Solvent Structuring of DMSO around Cellulose Triacetate
Bulletin of the Chemical Society of Japan, 76, 529-539, (2003).
Isseki Yu, Kazuyuki Iwata, Kazuyosi Ueda*, Haruo Nakayama
Molecular Modeling of the Solvent Structuring of Chloroform around Cellulose Triacetate
Bulletin of the Chemical Society of Japan, 76, 2285-2292, (2003).
Kazuyosi Ueda*, Taro Komai, Isseki Yu, Haruo Nakayama
Molecular Dynamics Study on the Density Fluctuation of Supercritical Water
Journal of Computer Chemistry, Japan, 1, 83-88, (2002).
（総説）
Masataka Nagaoka, Masayoshi Takayanagi, Isseki Yu,
Energy Flow Analysis in Proteins via Ensemble Molecular Dynamics Simulations:
Time-Resolved Vibrational Analysis and Surficial Kirkwood-Buff Theory
D.M. Leitner and J.E. Straub, Eds., "Proteins: Energy, Heat and Signal Flow", CRC, Boca Raton, 2009.
