Zobrazeno 1 - 10
of 41
pro vyhledávání: '"Duy Phuoc Tran"'
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:
ACS Omega, Vol 5, Iss 36, Pp 22847-22851 (2020)
Externí odkaz:
https://doaj.org/article/cbca35e7d69d4fdbbaefd8685b8ea1c3
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
Publikováno v:
ACS Omega, Vol 4, Iss 9, Pp 13853-13862 (2019)
Externí odkaz:
https://doaj.org/article/2eccb3883127486eabb24dada9f12cab
Publikováno v:
ACS Omega
ACS Omega, Vol 5, Iss 36, Pp 22847-22851 (2020)
ACS Omega, Vol 5, Iss 36, Pp 22847-22851 (2020)
Antimicrobial peptides are a potential solution to the threat of multidrug-resistant bacterial pathogens. Recently, deep generative models including generative adversarial networks (GANs) have been shown to be capable of designing new antimicrobial p
Autor:
Duy Phuoc Tran, Akio Kitao
Publikováno v:
Journal of Chemical Theory and Computation. 16:2835-2845
Here, we investigate the association and dissociation mechanisms of a typical intrinsically disordered region (IDR), transcriptional activation subdomain of tumor suppressor protein p53 (TAD-p53), with murine double-minute clone 2 protein (MDM2). Usi
Autor:
Yoshihiro Ito, Koji Tsuda, Akiko Yumoto, Akio Kitao, Seiichi Tada, Duy Phuoc Tran, Takanori Uzawa
Publikováno v:
Scientific Reports
Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
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) techniques includi
Publikováno v:
ACS Omega
ACS Omega, Vol 4, Iss 9, Pp 13853-13862 (2019)
ACS Omega, Vol 4, Iss 9, Pp 13853-13862 (2019)
This paper proposes a novel molecular simulation method, called tree search molecular dynamics (TS-MD), to accelerate the sampling of conformational transition pathways, which require considerable computation. In TS-MD, a tree search algorithm, calle
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