EDITORIAL article Front. Mater., 15 January 2021 | https://doi.org/10.3389/fmats.2020.634712

The realm of drug discovery has been significantly transformed by the integration computational techniques into design process. This review delves evolving landscape computer-aided design, focusing on latest innovations that are reshaping traditional paradigms engineering and optimization. We explore how in silico approaches, powered advances molecular modeling, machine learning, structural bio...

this research uses computational modeling to explore another method to increase diesel engine performance while maintaining low pollutant emission levels. previous studies have shown that injection-rate profiles and injector configurations play important roles on the performance and emissions of particulate and nox in di diesel engines. since the most important engine design parameters, includi...

In the article, problem relevance of solving many methodological issues by means mathematical modeling is due to fact that technological possibilities controlling remote sensing signals with necessary accuracy are limited, and considering main type scattering electromagnetic waves during help artificial Earth satellites Relay issue evaluation impact meteorological factors on this process in atm...

efficiency of enzymes which are used in industrial or environmental applications is highly dependent on their thermal stability. in this study, the stability of dfpase has been evaluated after introducing disulfide bonds to the structure. the results obtained from a series of protein design software were subjected to molecular dynamics simulation at different temperature to test the performance...