| 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 | 251 | 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 | 222 | 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 | 199 | 2004 |
| Coexistence of Neutral and Ion-Pair Clusters of Hydrated Sulfuric Acid H2SO4(H2O)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 | 90 | 2012 |
| 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 | 77 | 2016 |
| 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 | 68 | 2014 |
| 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 | 68 | 2006 |
| 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 | 67 | 2012 |
| 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 | 66 | 2019 |
| 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 | 62 | 2020 |
| 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 | 62 | 2002 |
| 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 | 59 | 2008 |
| 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 | 58 | 2013 |
| 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 | 52 | 2021 |
| Enhanced Stability of Non-Proton-Transferred Clusters of Hydrated Hydrogen Fluoride HF(H2O)n (n = 1−7): A Molecular Orbital Study S Re The Journal of Physical Chemistry A 105 (42), 9725-9735, 2001 | 52 | 2001 |
| 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 | 46 | 2012 |
| Structural diversity and changes in conformational equilibria of biantennary complex-type N-glycans in water revealed by replica-exchange molecular dynamics simulation S Re, N Miyashita, Y Yamaguchi, Y Sugita Biophysical journal 101 (10), L44-L46, 2011 | 44 | 2011 |
| 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 | 42 | 2022 |
Yuji SugitaRIKENVerified email at riken.go.jp
