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SARS-CoV-2 Omicron BA.2.75 Variant May Be Much More Infective than Preexisting Variants Based on In Silico Model

Aki Sugano, Yutaka Takaoka, Haruyuki Kataguchi, Mika Ohta et al. • Microorganisms (2022)

Previously, we developed a mathematical model via molecular simulation analysis to predict the infectivity of six SARS-CoV-2 variants. In this report, we aimed to predict the relative risk of the recent new variants of SARS-CoV-2 based on o...

DOAJ Open Access (DOAJ) DOI: 10.3390/microorganisms10102090

Quantum computational study of chloride attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes

Hocheol Lim, Hyeon-Nae Jeon, June-Koo Rhee, Byungdu Oh et al. • Scientific Reports (2022)

Abstract Quantum computing is expected to play an important role in solving the problem of huge computational costs in various applications by utilizing the collective properties of quantum states, including superposition, interference, and...

DOAJ Open Access (DOAJ) DOI: 10.1038/s41598-022-11537-6

Opportunities and Challenges for Machine Learning in Materials Science

Dane D. Morgan, Ryan Jacobs • Annual Review of Materials Research (2020)

Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid chang...

OPENALEX Open Access DOI: https://doi.org/10.1146/annurev-matsci-070218-010015

Saikosaponin b1 Attenuates Liver Fibrosis by Blocking STAT3/Gli1 Interaction and Inducing Gli1 Degradation

Meiyu Shao, Xiaoqing Zhang, Jiamei Sun, Hongyan Dong et al. • Exploration (2025)

ABSTRACT Saikosaponin b1 (Ssb1), a natural oleanane‐type triterpenoid saponin, exhibits antifibrosis activity by inhibiting the activation of hepatic stellate cells (HSCs), but the specific underlying molecular mechanisms are unknown. Here,...

DOAJ Open Access (DOAJ) DOI: 10.1002/EXP.70000