| Short synthesis of (+)-Cylindricine C by using a catalytic asymmetric Michael reaction with a two-center organocatalyst T Shibuguchi, H Mihara, A Kuramochi, S Sakuraba, T Ohshima, ... Angewandte Chemie-International Edition 45 (28), 4635-4637, 2006 | 112 | 2006 |
| ERmod: Fast and versatile computation software for solvation free energy with approximate theory of solutions S Sakuraba, N Matubayasi Journal of Computational Chemistry 35 (21), 1592-1608, 2014 | 71 | 2014 |
| Histone H3K23-specific acetylation by MORF is coupled to H3K14 acylation BJ Klein, SM Jang, C Lachance, W Mi, J Lyu, S Sakuraba, K Krajewski, ... Nature communications 10 (1), 4724, 2019 | 69 | 2019 |
| H3 histone tail conformation within the nucleosome and the impact of K14 acetylation studied using enhanced sampling simulation J Ikebe, S Sakuraba, H Kono PLoS computational biology 12 (3), e1004788, 2016 | 52 | 2016 |
| A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin S Takehara, S Sakuraba, B Mikami, H Yoshida, H Yoshimura, A Itoh, ... Nature Communications 11 (1), 2143, 2020 | 45 | 2020 |
| Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation K Takemura, H Guo, S Sakuraba, N Matubayasi, A Kitao The Journal of Chemical Physics 137 (21), 2012 | 45 | 2012 |
| Interaction-component analysis of the hydration and urea effects on cytochrome c Y Yamamori, R Ishizuka, Y Karino, S Sakuraba, N Matubayasi The Journal of Chemical Physics 144 (8), 2016 | 29 | 2016 |
| Detecting coupled collective motions in protein by independent subspace analysis S Sakuraba, Y Joti, A Kitao The Journal of chemical physics 133 (18), 2010 | 25 | 2010 |
| Free energy profiles for unwrapping the outer superhelical turn of nucleosomal DNA H Kono, S Sakuraba, H Ishida PLoS computational biology 14 (3), e1006024, 2018 | 24 | 2018 |
| Structural basis of the regulation of the normal and oncogenic methylation of nucleosomal histone H3 Lys36 by NSD2 K Sato, A Kumar, K Hamada, C Okada, A Oguni, A Machiyama, ... Nature Communications 12 (1), 6605, 2021 | 23 | 2021 |
| Molecular binding sites are located near the interface of intrinsic dynamics domains (IDDs) H Li, S Sakuraba, A Chandrasekaran, LW Yang Journal of Chemical Information and Modeling 54 (8), 2275-2285, 2014 | 22 | 2014 |
| A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method T Ishikawa, RR Burri, YO Kamatari, S Sakuraba, N Matubayasi, A Kitao, ... Physical Chemistry Chemical Physics 15 (10), 3646-3654, 2013 | 22 | 2013 |
| Enhanced sampling of molecular dynamics simulations of a polyalanine octapeptide: effects of the periodic boundary conditions on peptide conformation K Kasahara, S Sakuraba, I Fukuda The Journal of Physical Chemistry B 122 (9), 2495-2503, 2018 | 21 | 2018 |
| The N-terminal tails of histones H2A and H2B adopt two distinct conformations in the nucleosome with contact and reduced contact to DNA H Ohtomo, J Kurita, S Sakuraba, Z Li, Y Arimura, M Wakamori, Y Tsunaka, ... Journal of molecular biology 433 (15), 167110, 2021 | 20 | 2021 |
| NMR-NOE and MD simulation study on phospholipid membranes: dependence on membrane diameter and multiple time scale dynamics M Shintani, K Yoshida, S Sakuraba, M Nakahara, N Matubayasi The Journal of Physical Chemistry B 115 (29), 9106-9115, 2011 | 20 | 2011 |
| Spotting the difference in molecular dynamics simulations of biomolecules S Sakuraba, H Kono The Journal of Chemical Physics 145 (7), 2016 | 19 | 2016 |
| Predicting RNA duplex dimerization free-energy changes upon mutations using molecular dynamics simulations S Sakuraba, K Asai, T Kameda The Journal of Physical Chemistry Letters 6 (21), 4348-4351, 2015 | 19 | 2015 |
| Critical roles for coiled-coil dimers of butyrophilin 3A1 in the sensing of prenyl pyrophosphates by human Vγ2Vδ2 T cells H Wang, MH Nada, Y Tanaka, S Sakuraba, CT Morita The Journal of Immunology 203 (3), 607-626, 2019 | 17 | 2019 |
| Distribution-function approach to free energy computation S Sakuraba, N Matubayasi The Journal of chemical physics 135 (11), 2011 | 17 | 2011 |
| Adaptive lambda square dynamics simulation: An efficient conformational sampling method for biomolecules J Ikebe, S Sakuraba, H Koho Journal of Computational Chemistry 35 (1), 39-50, 2013 | 16 | 2013 |
Hidetoshi KonoMolecular Modeling and Simulation, Institute for Quantum Life Science (iQLS), QSTVerified email at qst.go.jp
