Replica-exchange molecular dynamics method for protein folding Y Sugita, Y Okamoto Chemical physics letters 314 (1-2), 141-151, 1999 | 5085 | 1999 |
Generalized‐ensemble algorithms for molecular simulations of biopolymers A Mitsutake, Y Sugita, Y Okamoto Peptide Science: Original Research on Biomolecules 60 (2), 96-123, 2001 | 1019 | 2001 |
Multidimensional replica-exchange method for free-energy calculations Y Sugita, A Kitao, Y Okamoto The Journal of chemical physics 113 (15), 6042-6051, 2000 | 998 | 2000 |
Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape Y Sugita, Y Okamoto Chemical Physics Letters 329 (3-4), 261-270, 2000 | 401 | 2000 |
Atg9 is a lipid scramblase that mediates autophagosomal membrane expansion K Matoba, T Kotani, A Tsutsumi, T Tsuji, T Mori, D Noshiro, Y Sugita, ... Nature structural & molecular biology 27 (12), 1185-1193, 2020 | 304 | 2020 |
Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+ K Obara, N Miyashita, C Xu, I Toyoshima, Y Sugita, G Inesi, C Toyoshima Proceedings of the National Academy of Sciences 102 (41), 14489-14496, 2005 | 293 | 2005 |
Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm I Yu, T Mori, T Ando, R Harada, J Jung, Y Sugita, M Feig Elife 5, e19274, 2016 | 292 | 2016 |
Conformational transition of Sec machinery inferred from bacterial SecYE structures T Tsukazaki, H Mori, S Fukai, R Ishitani, T Mori, N Dohmae, A Perederina, ... Nature 455 (7215), 988-991, 2008 | 282 | 2008 |
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 | 257 | 2012 |
Structural basis of Sec-independent membrane protein insertion by YidC K Kumazaki, S Chiba, M Takemoto, A Furukawa, K Nishiyama, Y Sugano, ... Nature 509 (7501), 516-520, 2014 | 252 | 2014 |
Modeling of the inhibitory interaction of phospholamban with the Ca2+ ATPase C Toyoshima, M Asahi, Y Sugita, R Khanna, T Tsuda, DH MacLennan Proceedings of the National Academy of Sciences 100 (2), 467-472, 2003 | 248 | 2003 |
Protein crowding affects hydration structure and dynamics R Harada, Y Sugita, M Feig Journal of the American Chemical Society 134 (10), 4842-4849, 2012 | 225 | 2012 |
Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT S Doki, HE Kato, N Solcan, M Iwaki, M Koyama, M Hattori, N Iwase, ... Proceedings of the National Academy of Sciences 110 (28), 11343-11348, 2013 | 214 | 2013 |
Sarcolipin regulates sarco(endo)plasmic reticulum Ca2+-ATPase (SERCA) by binding to transmembrane helices alone or in association with phospholamban M Asahi, Y Sugita, K Kurzydlowski, S De Leon, M Tada, C Toyoshima, ... Proceedings of the National Academy of Sciences 100 (9), 5040-5045, 2003 | 192 | 2003 |
Comparisons of force fields for proteins by generalized-ensemble simulations T Yoda, Y Sugita, Y Okamoto Chemical Physics Letters 386 (4-6), 460-467, 2004 | 186 | 2004 |
GENESIS: a hybrid‐parallel and multi‐scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations J Jung, T Mori, C Kobayashi, Y Matsunaga, T Yoda, M Feig, Y Sugita Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (4), 310-323, 2015 | 184 | 2015 |
Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. I. Formulation and benchmark test A Mitsutake, Y Sugita, Y Okamoto The Journal of chemical physics 118 (14), 6664-6675, 2003 | 179 | 2003 |
Crowding in cellular environments at an atomistic level from computer simulations M Feig, I Yu, P Wang, G Nawrocki, Y Sugita The Journal of Physical Chemistry B 121 (34), 8009-8025, 2017 | 167 | 2017 |
Reduced native state stability in crowded cellular environment due to protein–protein interactions R Harada, N Tochio, T Kigawa, Y Sugita, M Feig Journal of the American Chemical Society 135 (9), 3696-3701, 2013 | 164 | 2013 |
GENESIS 1.1: A hybrid‐parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms C Kobayashi, J Jung, Y Matsunaga, T Mori, T Ando, K Tamura, M Kamiya, ... Journal of Computational Chemistry 38 (25), 2193-2206, 2017 | 159 | 2017 |