CafeMol: A coarse-grained biomolecular simulator for simulating proteins at work H Kenzaki, N Koga, N Hori, R Kanada, W Li, K Okazaki, XQ Yao, ... Journal of Chemical Theory and Computation 7 (6), 1979-1989, 2011 | 222 | 2011 |
Modeling structural dynamics of biomolecular complexes by coarse-grained molecular simulations S Takada, R Kanada, C Tan, T Terakawa, W Li, H Kenzaki Accounts of chemical research 48 (12), 3026-3035, 2015 | 138 | 2015 |
Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance K Okada, M Araki, T Sakashita, B Ma, R Kanada, N Yanagitani, A Horiike, ... EBioMedicine 41, 105-119, 2019 | 119 | 2019 |
Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare EGFR mutations S Ikemura, H Yasuda, S Matsumoto, M Kamada, J Hamamoto, ... Proceedings of the National Academy of Sciences 116 (20), 10025-10030, 2019 | 54 | 2019 |
Theoretical model for motility and processivity of two-headed molecular motors R Kanada, K Sasaki Physical Review E 67 (6), 061917, 2003 | 39 | 2003 |
High-precision atomic charge prediction for protein systems using fragment molecular orbital calculation and machine learning K Kato, T Masuda, C Watanabe, N Miyagawa, H Mizouchi, S Nagase, ... Journal of chemical information and modeling 60 (7), 3361-3368, 2020 | 30 | 2020 |
Protein–ligand binding affinity prediction of cyclin‐dependent kinase‐2 inhibitors by dynamically averaged fragment molecular orbital‐based interaction energy K Takaba, C Watanabe, A Tokuhisa, Y Akinaga, B Ma, R Kanada, M Araki, ... Journal of Computational Chemistry 43 (20), 1362-1371, 2022 | 26 | 2022 |
Nucleosome crowding in chromatin slows the diffusion but can promote target search of proteins R Kanada, T Terakawa, H Kenzaki, S Takada Biophysical journal 116 (12), 2285-2295, 2019 | 20 | 2019 |
Stabilization Mechanism for a Nonfibrillar Amyloid β Oligomer Based on Formation of a Hydrophobic Core Determined by Dissipative Particle Dynamics R Kawai, S Chiba, K Okuwaki, R Kanada, H Doi, M Ono, Y Mochizuki, ... ACS chemical neuroscience 11 (3), 385-394, 2020 | 19 | 2020 |
Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin R Kanada, T Kuwata, H Kenzaki, S Takada PLoS computational biology 9 (2), e1002907, 2013 | 19 | 2013 |
Thermal ratchets with symmetric potentials R Kanada, K Sasaki Journal of the Physical Society of Japan 68 (12), 3759-3762, 1999 | 16 | 1999 |
Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity T Yoshizawa, K Uchibori, M Araki, S Matsumoto, B Ma, R Kanada, Y Seto, ... NPJ precision oncology 5 (1), 1-11, 2021 | 12 | 2021 |
Coupling Langevin dynamics with continuum mechanics: exposing the role of sarcomere stretch activation mechanisms to cardiac function T Washio, S Sugiura, R Kanada, JI Okada, T Hisada Frontiers in physiology 9, 333, 2018 | 10 | 2018 |
Enhanced Conformational Sampling with an Adaptive Coarse-Grained Elastic Network Model Using Short-Time All-Atom Molecular Dynamics R Kanada, K Terayama, A Tokuhisa, S Matsumoto, Y Okuno Journal of chemical theory and computation, 2022 | 8 | 2022 |
Exploring Successful Parameter Region for Coarse-Grained Simulation of Biomolecules by Bayesian Optimization and Active Learning R Kanada, A Tokuhisa, K Tsuda, Y Okuno, K Terayama Biomolecules 10 (3), 482, 2020 | 8 | 2020 |
Diffusion enhancement of Brownian motors revealed by a solvable model R Kanada, R Shinagawa, K Sasaki Physical Review E 98 (6), 062110, 2018 | 6 | 2018 |
Efficiency of energy transduction in a molecular chemical engine K Sasaki, R Kanada, S Amari Journal of the Physical Society of Japan 76 (2), 023003-023003, 2007 | 5 | 2007 |
Coarse-Grained Diffraction Template Matching Model to Retrieve Multiconformational Models for Biomolecule Structures from Noisy Diffraction Patterns A Tokuhisa, R Kanada, S Chiba, K Terayama, Y Isaka, B Ma, N Kamiya, ... Journal of Chemical Information and Modeling 60 (6), 2803-2818, 2020 | 4 | 2020 |
A thermodynamically consistent monte carlo cross-bridge model with a trapping mechanism reveals the role of stretch activation in heart pumping K Yoneda, R Kanada, J Okada, M Watanabe, S Sugiura, T Hisada, ... Frontiers in Physiology, 1622, 2022 | 3 | 2022 |
Semi-Implicit Time Integration with Hessian Eigenvalue Corrections for a Larger Time Step in Molecular Dynamics Simulations T Washio, R Kanada, X Cui, J Okada, S Sugiura, S Takada, T Hisada Journal of Chemical Theory and Computation 17 (9), 5792-5804, 2021 | 3 | 2021 |