The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a pandemic due to the high transmission and mortality rate of this virus. The world health and economic sectors have been severely affected by this deadly virus, exacerbated by the lack of sufficient efficient vaccines. The design of effective drug candidates and their rapid development is necessary to combat this virus. In this study, we selected 23 antimicrobial peptides from the literature and predicted their structure using PEP-FOLD 3.5. In addition, we docked them to the SARS-CoV-2 spike protein receptor-binding domain (RBD) to study their capability to inhibit the RBD, which plays a significant role in virus binding, fusion and entry into the host cell. We used several docking programs including HDOCK, HPEPDOCK, ClusPro, and HawkDock to calculate the binding energy of the protein-peptide complexes. We identified four peptides with high binding free energy and docking scores. The docking results
An effective approach is proposed to predict the remaining fatigue life (RFL) of structures with stochastic parameters. The extended finite element method (XFEM) was firstly used to produce a large amount of datasets associated with structural responses and RFL. Then, a RFL prediction model was developed using the ensemble learning algorithm, which employed multiple machine-learning algorithms to learn useful degradation patterns of the structures from the XFEM datasets. Several numerical examples were investigated to evaluate the performance of proposed RFL prediction approach. The analysis results demonstrate that the ensemble learning is able to effectively predict the RFL of the structures with stochastic parameters.
Nov. 5, 2021 Three technologies developed by researchers at the U.S. Department of Energy’s (DOE) Argonne National Laboratory and partner organizations
Argonne and Parallel Works, Inc., won the Federal Laboratory Consortium’s Midwest Regional Award for Excellence in Technology Transfer for bringing Argonne’
Argonne and Parallel Works Inc win FLC recognition for commercializing lab s machine learning-based design optimization software technology newswise.com - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from newswise.com Daily Mail and Mail on Sunday newspapers.