Zobrazeno 1 - 10
of 254
pro vyhledávání: '"Akio, Kitao"'
Autor:
Akio Kitao
Publikováno v:
J, Vol 5, Iss 2, Pp 298-317 (2022)
Principal component analysis (PCA) is used to reduce the dimensionalities of high-dimensional datasets in a variety of research areas. For example, biological macromolecules, such as proteins, exhibit many degrees of freedom, allowing them to adopt i
Externí odkaz:
https://doaj.org/article/205e0072d6604d47b10e3ebb95bdf5b9
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-15 (2022)
Abstract Non-structural protein 15 (Nsp15) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) forms a homo hexamer and functions as an endoribonuclease. Here, we propose that Nsp15 activity may be inhibited by preventing its hexamerizati
Externí odkaz:
https://doaj.org/article/419198dc649043e48c682039b6386335
Autor:
Duy Phuoc Tran, Seiichi Tada, Akiko Yumoto, Akio Kitao, Yoshihiro Ito, Takanori Uzawa, Koji Tsuda
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
Abstract Cell-penetrating peptides have important therapeutic applications in drug delivery, but the variety of known cell-penetrating peptides is still limited. With a promise to accelerate peptide development, artificial intelligence (AI) technique
Externí odkaz:
https://doaj.org/article/0a9cf7df2c9b4a0ea4bd512001748a5c
Publikováno v:
Biophysics and Physicobiology, Vol 18 (2021)
We recently proposed a computational procedure to simulate the dissociation of protein/ligand complexes using the dissociation Parallel Cascade Selection Molecular Dynamics simulation (dPaCS-MD) method and to analyze the generated trajectories using
Externí odkaz:
https://doaj.org/article/10fae90562e84803ba51ed0d4da61619
Autor:
Kyoko Hanawa-Suetsugu, Yuzuru Itoh, Maisarah Ab Fatah, Tamako Nishimura, Kazuhiro Takemura, Kohei Takeshita, Satoru Kubota, Naoyuki Miyazaki, Wan Nurul Izzati Wan Mohamad Noor, Takehiko Inaba, Nhung Thi Hong Nguyen, Sayaka Hamada-Nakahara, Kayoko Oono-Yakura, Masashi Tachikawa, Kenji Iwasaki, Daisuke Kohda, Masaki Yamamoto, Akio Kitao, Atsushi Shimada, Shiro Suetsugu
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-13 (2019)
The Bin/Amphiphysin/Rvs167 (BAR) domain superfamily, which includes FCH-BAR (F-BAR) domain proteins are membrane-sculpting proteins. Here the authors combine a range of techniques and show that the F-BAR domain of growth-arrest specific protein 7 (GA
Externí odkaz:
https://doaj.org/article/e2ed47610d894146b620955e644b5a77
Publikováno v:
ACS Omega, Vol 4, Iss 9, Pp 13853-13862 (2019)
Externí odkaz:
https://doaj.org/article/2eccb3883127486eabb24dada9f12cab
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
Abstract The BAR domain superfamily proteins sense or induce curvature in membranes. The inverse-BAR domain (I-BAR) is a BAR domain that forms a straight “zeppelin-shaped” dimer. The mechanisms by which IRSp53 I-BAR binds to and deforms a lipid m
Externí odkaz:
https://doaj.org/article/2e4bc1121b3e447b80858d5efd481efc
Autor:
Kazuhiro Takemura, Akio Kitao
Publikováno v:
Biophysics and Physicobiology, Vol 16 (2019)
Rigid-body protein-protein docking is very efficient in generating tens of thousands of docked complex models (decoys) in a very short time without considering structure change upon binding, but typical docking scoring functions are not necessarily s
Externí odkaz:
https://doaj.org/article/97667eeee20240b7ae33c4ec330d848b
Publikováno v:
Biophysics and Physicobiology, Vol 16 (2019)
Externí odkaz:
https://doaj.org/article/36209d07683241889989595003fedeb6
Autor:
Yasumasa Joti, Akio Kitao
Publikováno v:
Biophysics and Physicobiology, Vol 16 (2019)
Terahertz time-domain spectra (THz-TDS) were investigated using the results of molecular dynamics (MD) simulations of Staphylococcal nuclease at two hydration states in the temperature range between 100 and 300 K. The temperature dependence of THz-TD
Externí odkaz:
https://doaj.org/article/b49b78bd70634da89880304af3005b29