Multiscale Modeling and Simulation Approaches to Lipid-Protein Interactions.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9512-7_1
Abstract: Lipid membranes play a crucial role in living systems by compartmentalizing biological processes and forming a barrier between these processes and the environment. Naturally, a large apparatus of biomolecules is responsible for construction, maintenance, transport,… read more here.
Keywords: simulation approaches; modeling simulation; protein interactions; lipid protein ... See more keywords
Simulation-based Assessment of Energy Efficiency in Industry: Comparison of Hybrid Simulation Approaches
Sign Up to like & getrecommendations! Published in 2018 at "IFAC-PapersOnLine"
DOI: 10.1016/j.ifacol.2018.03.117
Abstract: Abstract In order to analyze and optimize energy efficiency of complex industrial systems, methods for hybrid simulation are necessary that incorporate discrete as well as continuous aspects while at the same remain manageable for large-scale… read more here.
Keywords: simulation approaches; hybrid simulation; energy efficiency; simulation ... See more keywords
Multiscale simulation approaches to modeling drug-protein binding.
Sign Up to like & getrecommendations! Published in 2020 at "Current opinion in structural biology"
DOI: 10.1016/j.sbi.2020.01.014
Abstract: Simulations can provide detailed insight into the molecular processes involved in drug action, such as protein-ligand binding, and can therefore be a valuable tool for drug design and development. Processes with a large range of… read more here.
Keywords: simulation approaches; protein; approaches modeling; drug ... See more keywords
Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra00277a
Abstract: A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading… read more here.
Keywords: simulation approaches; omicron variant; omicron; variant 529 ... See more keywords
Modelling and Simulation Approaches for Local Energy Community Integrated Distribution Networks
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DOI: 10.1109/access.2022.3140237
Abstract: Due to the absence of studies of local energy communities (LECs) where the grid is represented, it is very difficult to infer implications of increased LEC integration for the distribution grid as well as for… read more here.
Keywords: simulation approaches; modelling simulation; simulation; distribution ... See more keywords
Application of Modelling and Simulation Approaches to Predict Pharmacokinetics of Therapeutic Monoclonal Antibodies in Pediatric Population
Sign Up to like & getrecommendations! Published in 2023 at "Pharmaceutics"
DOI: 10.3390/pharmaceutics15051552
Abstract: Ethical regulations and limited paediatric participants are key challenges that contribute to a median delay of 6 years in paediatric mAb approval. To overcome these barriers, modelling and simulation methodologies have been adopted to design… read more here.
Keywords: simulation approaches; pbpk modelling; modelling simulation; application modelling ... See more keywords