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Hideo Doi
Hideo Doi
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Jahr
Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane
H Doi, K Okuwaki, Y Mochizuki, T Ozawa, K Yasuoka
Chemical Physics Letters 684, 427-432, 2017
302017
Machine learning-aided analysis for complex local structure of liquid crystal polymers
KZ Takahashi, K Tagashira, J Fukuda, T Aoyagi
Scientific reports 9 (1), 1-12, 2019
232019
Theoretical analyses on water cluster structures in polymer electrolyte membrane by using dissipative particle dynamics simulations with fragment molecular orbital based …
K Okuwaki, Y Mochizuki, H Doi, S Kawada, T Ozawa, K Yasuoka
RSC advances 8 (60), 34582-34595, 2018
232018
Influence of Trimethylamine N-Oxide (TMAO) on the Three-dimensional Distribution and Alignment of Solvent Molecules in Aqueous Solution
H Doi, Y Watanabe, M Aida
Chemistry Letters 43 (6), 865-867, 2014
172014
Fragment Molecular Orbital Based Parametrization Procedure for Mesoscopic Structure Prediction of Polymeric Materials
K Okuwaki, Y Mochizuki, H Doi, T Ozawa
The Journal of Physical Chemistry B 122 (1), 338-347, 2018
142018
Mining of effective local order parameters for classifying crystal structures: A machine learning study
H Doi, KZ Takahashi, T Aoyagi
The Journal of Chemical Physics 152 (21), 214501, 2020
132020
Folding simulation of small proteins by dissipative particle dynamics (DPD) with non-empirical interaction parameters based on fragment molecular orbital calculations
K Okuwaki, H Doi, K Fukuzawa, Y Mochizuki
Applied Physics Express 13 (1), 017002, 2019
112019
Comparative study on the deposition of enzyme-entrapped membranes with spatial homogeneity for bioimaging
T Iwata, H Doi, K Okumura, T Horio, T Hattori, K Takahashi, K Sawada
Sensors and Actuators B: Chemical 239, 800-806, 2017
102017
Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations
S Saitou, J Iijima, M Fujimoto, Y Mochizuki, K Okuwaki, H Doi, Y Komeiji
Chem-Bio Informatics Journal 18, 58-69, 2018
82018
A New Treatment for Water near the Interface between Lipid Membrane and Silica in Dissipative Particle Dynamics Simulation
H Doi, K Okuwaki, Y Mochizuki, T Ozawa
JOURNAL OF COMPUTER CHEMISTRY-JAPAN 16 (1), 28-31, 2017
82017
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
72020
An automated framework to evaluate effective interaction parameters for dissipative particle dynamics simulations based on the fragment molecular orbital (FMO) method
K Okuwaki, H Doi, Y Mochizuki
JOURNAL OF COMPUTER CHEMISTRY-JAPAN 17 (2), 102-109, 2018
72018
Formation mechanism of lipid membrane and vesicle using small angle X-ray scattering and dissipative particle dynamics (DPD) method
E Shinsho, K Okuwaki, H Doi, Y Mochizuki, T Furuishi, K Fukuzawa, ...
JOURNAL OF COMPUTER CHEMISTRY-JAPAN 17 (4), 172-179, 2018
62018
Searching local order parameters to classify water structures of ice Ih, Ic, and liquid
H Doi, KZ Takahashi, T Aoyagi
The Journal of Chemical Physics 154 (16), 164505, 2021
52021
Replica exchange molecular simulation of Lennard–Jones particles in a two-dimensional confined system
H Doi, K Yasuoka
AIP Advances 7 (5), 055018, 2017
42017
Development and Performance Evaluation of a Simulation Code for Dissipative Particle Dynamics (DPD) CAMUS
H Doi, S Saitou, K Okuwaki, T Naito, Y Mochizuki
JOURNAL OF COMPUTER CHEMISTRY-JAPAN 16 (5), 126-128, 2017
42017
Searching for local order parameters to classify water structures at triple points
H Doi, KZ Takahashi, T Aoyagi
Journal of Computational Chemistry 42 (24), 1720-1727, 2021
32021
A new variant of multicanonical Monte Carlo algorithm with specifying the temperature range and its application to the hydration free energy change of fluorinated methane …
H Doi, M Aida
Chemical Physics Letters 595, 55-60, 2014
32014
散逸粒子動力学におけるシリカ-脂質膜界面付近の水の取扱い
土居英男, 奥脇弘次, 望月祐志, 小沢拓
Journal of Computer Chemistry, Japan, 2017
22017
Fabrication of non label atp image sensor with mixed layered technique
H Doi, T Horio, K Okumura, T Hattori, M Ishida, K Sawada
2015 Transducers-2015 18th International Conference on Solid-State Sensors …, 2015
22015
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