SCI时时刷

search
First-principles study of LiFePO4 modified by graphene and defective graphene oxide
First-principles study of LiFePO4 modified by graphene and defective graphene oxide
Lithium iron phosphate (LiFePO4) with olivine structure has excellent thermal stability, high energy density, and outstand...
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubes
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubes
The extraordinary physical characteristics of carbon nanotubes (CNTs) and graphene have enticed many researchers to seek o...
Uncovering PPAR-γ agonists: An integrated computational approach driven by machine learning
Uncovering PPAR-γ agonists: An integrated computational approach driven by machine learning
Diabetes mellitus (DM) is considered a substantial public health concern both at the local and global level. The World Hea...
Mechanical behaviors of CL-20 under an impact loading: A molecular dynamics study
Mechanical behaviors of CL-20 under an impact loading: A molecular dynamics study
Energetic materials are widely used in engineering blasting, space applications, explosive formations, and weapon systems ...
The full-length TSH receptor is stabilized by TSH ligand
The full-length TSH receptor is stabilized by TSH ligand
The thyroid-stimulating hormone receptor (TSHR) is the major factor for thyroid growth and development and the major regul...
Molecular dynamics simulations shows real-time lid opening in Hsp70 chaperone
Molecular dynamics simulations shows real-time lid opening in Hsp70 chaperone
Chaperone proteins are responsible for proteomic homeostasis across almost all kingdoms of life, utilizing multiple thermo...
Sr-centered monocyclic carbon ring Sr@C14: A new stable cluster
Sr-centered monocyclic carbon ring Sr@C14: A new stable cluster
Carbon exhibits the complex property of forming chemical bonds with itself; hence, it is one of the most diverse elements ...
Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionals
Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionals
The development of clean energy technologies has been accelerated by the actual situation of continuous degradation of the...
Computational modelling and optimization studies of electropentamer for molecular imprinting of DJ-1
Computational modelling and optimization studies of electropentamer for molecular imprinting of DJ-1
DJ-1 has been identified as a promising biomarker for the early detection of Parkinson's disease [1]. Various techniques, ...
BioProtIS: Streamlining protein-ligand interaction pipeline for analysis in genomic and transcriptomic exploration
BioProtIS: Streamlining protein-ligand interaction pipeline for analysis in genomic and transcriptomic exploration
In the era of high-throughput omics technologies, the field of bioinformatics faces the challenge of integrating vast amou...
Computational insight into the effect of alkyl chain length in tetraalkylammonium-based deep eutectic solvents
Computational insight into the effect of alkyl chain length in tetraalkylammonium-based deep eutectic solvents
Deep eutectic solvents (DESs) are non-ideal mixtures of at least two components, when mixed at an optimum eutectic ratio, ...
Exploring nanocarriers as innovative materials for advanced drug delivery strategies in onco-immunotherapies
Exploring nanocarriers as innovative materials for advanced drug delivery strategies in onco-immunotherapies
Traditionally, the primary focus of research and development in cancer drug discovery has been on developing systemically ...
Sensing potential of C6N8 for ammonia (NH3) and nitrogen triflouride (NF3): A DFT study
Sensing potential of C6N8 for ammonia (NH3) and nitrogen triflouride (NF3): A DFT study
The significance of toxic gas detection in regulating and monitoring air quality in the atmosphere has drawn a lot of atte...