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Koji Okuwaki
Koji Okuwaki
立教大学
Bestätigte E-Mail-Adresse bei rikkyo.ac.jp
Titel
Zitiert von
Zitiert von
Jahr
Fragment molecular orbital based interaction analyses on COVID-19 main protease− inhibitor N3 complex (PDB ID: 6LU7)
R Hatada, K Okuwaki, Y Mochizuki, Y Handa, K Fukuzawa, Y Komeiji, ...
Journal of chemical information and modeling 60 (7), 3593-3602, 2020
682020
Self‐Degradable Lipid‐Like Materials Based on “Hydrolysis accelerated by the intra‐Particle Enrichment of Reactant (HyPER)” for Messenger RNA Delivery
H Tanaka, T Takahashi, M Konishi, N Takata, M Gomi, D Shirane, ...
Advanced Functional Materials 30 (34), 1910575, 2020
432020
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
Cm 3+/Eu 3+ induced structural, mechanistic and functional implications for calmodulin
B Drobot, M Schmidt, Y Mochizuki, T Abe, K Okuwaki, F Brulfert, S Falke, ...
Physical Chemistry Chemical Physics 21 (38), 21213-21222, 2019
252019
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
Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations
K Akisawa, R Hatada, K Okuwaki, Y Mochizuki, K Fukuzawa, Y Komeiji, ...
RSC advances 11 (6), 3272-3279, 2021
172021
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
Destabilization of DNA through interstrand crosslinking by UO 2 2+
A Rossberg, T Abe, K Okuwaki, A Barkleit, K Fukuzawa, T Nakano, ...
Chemical Communications 55 (14), 2015-2018, 2019
132019
Statistical interaction analyses between SARS-CoV-2 main protease and inhibitor N3 by combining molecular dynamics simulation and fragment molecular orbital calculation
R Hatada, K Okuwaki, K Akisawa, Y Mochizuki, Y Handa, K Fukuzawa, ...
Applied Physics Express 14 (2), 027003, 2021
112021
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
Dynamic cooperativity of ligand–residue interactions evaluated with the fragment molecular orbital method
S Tanaka, S Tokutomi, R Hatada, K Okuwaki, K Akisawa, K Fukuzawa, ...
The Journal of Physical Chemistry B 125 (24), 6501-6512, 2021
92021
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
Interaction Analysis on the SARS-CoV-2 Spike Protein Receptor Binding Domain Using Visualization of the Interfacial Electrostatic Complementarity
T Ishikawa, H Ozono, K Akisawa, R Hatada, K Okuwaki, Y Mochizuki
The journal of physical chemistry letters 12 (46), 11267-11272, 2021
52021
A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions
O Koji, N Takamitsu, S Sona, M Yuji
Chem-Bio Informatics Journal 18, 70-85, 2018
52018
Fragment molecular orbital based interaction analyses on complexes between SARS-CoV-2 RBD variants and ACE2
K Akisawa, R Hatada, K Okuwaki, S Kitahara, Y Tachino, Y Mochizuki, ...
Japanese Journal of Applied Physics 60 (9), 090901, 2021
42021
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
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