Crystal structure of α5β1 integrin ectodomain: Atomic details of the fibronectin receptor M Nagae, S Re, E Mihara, T Nogi, Y Sugita, J Takagi
Journal of Cell Biology 197 (1), 131-140, 2012
269 2012 Structures and stability of hydrated clusters of hydrogen chloride, S Re, Y Osamura, Y Suzuki, HF Schaefer III
The Journal of chemical physics 109 (3), 973-977, 1998
227 1998 A bowl-shaped fullerene encapsulates a water into the cage S Iwamatsu, T Uozaki, K Kobayashi, S Re, S Nagase, S Murata
Journal of the American Chemical Society 126 (9), 2668-2669, 2004
202 2004 Coexistence of Neutral and Ion-Pair Clusters of Hydrated Sulfuric Acid H2 SO4 (H2 O)n n = 1−5)A Molecular Orbital Study S Re, Y Osamura, K Morokuma
The Journal of Physical Chemistry A 103 (18), 3535-3547, 1999
186 1999 Effect of bisecting GlcNAc and core fucosylation on conformational properties of biantennary complex-type N-glycans in solution W Nishima, N Miyashita, Y Yamaguchi, Y Sugita, S Re
The Journal of Physical Chemistry B 116 (29), 8504-8512, 2012
93 2012 CHARMM-GUI free energy calculator for absolute and relative ligand solvation and binding free energy simulations S Kim, H Oshima, H Zhang, NR Kern, S Re, J Lee, B Roux, Y Sugita, ...
Journal of chemical theory and computation 16 (11), 7207-7218, 2020
86 2020 Dynamics and interactions of OmpF and LPS: influence on pore accessibility and ion permeability DS Patel, S Re, EL Wu, Y Qi, PE Klebba, G Widmalm, MS Yeom, Y Sugita, ...
Biophysical journal 110 (4), 930-938, 2016
82 2016 Replica-exchange umbrella sampling combined with Gaussian accelerated molecular dynamics for free-energy calculation of biomolecules H Oshima, S Re, Y Sugita
Journal of Chemical Theory and Computation 15 (10), 5199-5208, 2019
75 2019 Mosaic of water orientation structures at a neutral zwitterionic lipid/water interface revealed by molecular dynamics simulations S Re, W Nishima, T Tahara, Y Sugita
The journal of physical chemistry letters 5 (24), 4343-4348, 2014
71 2014 Confident identification of isomeric N‐glycan structures by combined ion mobility mass spectrometry and hydrophilic interaction liquid chromatography Y Yamaguchi, W Nishima, S Re, Y Sugita
Rapid Communications in Mass Spectrometry 26 (24), 2877-2884, 2012
70 2012 On the ultrafast infrared spectroscopy of anion hydration shell hydrogen bond dynamics B Nigro, S Re, D Laage, R Rey, JT Hynes
The Journal of Physical Chemistry A 110 (39), 11237-11243, 2006
70 2006 Elucidation of interactions regulating conformational stability and dynamics of SARS-CoV-2 S-protein T Mori, J Jung, C Kobayashi, HM Dokainish, S Re, Y Sugita
Biophysical journal 120 (6), 1060-1071, 2021
65 2021 Characteristic Reactions and Properties of C -Apical O -Equatorial (O-cis ) Spirophosphoranes: Effect of the σ*P - O Orbital in the Equatorial Plane and Isolation … S Matsukawa, S Kojima, K Kajiyama, Y Yamamoto, K Akiba, S Re, ...
Journal of the American Chemical Society 124 (44), 13154-13170, 2002
65 2002 Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations MK Ghosh, S Re, M Feig, Y Sugita, CH Choi
The journal of physical chemistry B 117 (1), 289-295, 2013
64 2013 Charge Transfer and OH Vibrational Frequency Red Shifts in Nitrate− Water Clusters SG Ramesh, S Re, JT Hynes
The Journal of Physical Chemistry A 112 (15), 3391-3398, 2008
60 2008 The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein HM Dokainish, S Re, T Mori, C Kobayashi, J Jung, Y Sugita
Elife 11, e75720, 2022
58 2022 Enhanced Stability of Non-Proton-Transferred Clusters of Hydrated Hydrogen Fluoride HF(H2 O)n n = 1−7): A Molecular Orbital Study S Re
The Journal of Physical Chemistry A 105 (42), 9725-9735, 2001
52 2001 Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape S Re, H Oshima, K Kasahara, M Kamiya, Y Sugita
Proceedings of the National Academy of Sciences 116 (37), 18404-18409, 2019
50 2019 ONIOM Study of Chemical Reactions in Microsolvation Clusters:(H2O) n CH3Cl+ OH-(H2O) m (n+ m= 1 and 2) S Re, K Morokuma
The Journal of Physical Chemistry A 105 (30), 7185-7197, 2001
49 2001 Conformational flexibility of N-glycans in solution studied by REMD simulations S Re, W Nishima, N Miyashita, Y Sugita
Biophysical reviews 4, 179-187, 2012
48 2012 
Yuji SugitaRIKENZweryfikowany adres z riken.go.jp
