Results 71 to 80 of about 45,213 (243)
Relating the ABC and harmonic indices [PDF]
Journal of the Serbian Chemical Society, 2014 The atom-bond connectivity (ABC) index is a much-studied molecular structure descriptor, based on the degrees of the vertices of the molecular graph.
Gutman Ivan, Zhong Lingping, Xu Kexiang
doaj +1 more source
Revealing the structure of land plant photosystem II: the journey from negative‐stain EM to cryo‐EM
FEBS Letters, EarlyView.Advances in cryo‐EM have revealed the detailed structure of Photosystem II, a key protein complex driving photosynthesis. This review traces the journey from early low‐resolution images to high‐resolution models, highlighting how these discoveries deepen our understanding of light harvesting and energy conversion in plants.
Roman Kouřil
wiley +1 more source
Compositional optimization of hard-magnetic phases with machine-learning models
, 2018 Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build kernel-based ML
Elsässer, Christian +4 more
core +1 more source
Mapping the evolution of mitochondrial complex I through structural variation
FEBS Letters, EarlyView.Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin +2 more
wiley +1 more source
IEEE AccessCathepsins are lysosomal proteases which are crucial for protein breakdown, bone remodelling and antigen processing and whose dysregulation leads to diseases like cancer, osteoporosis and neurodegenerative disorders, making them an important drug target.
Mohammed Junaid Anwar Qader +4 more
doaj +1 more source
Vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes [PDF]
Journal of the Serbian Chemical Society, 2012 Several recently published papers report expressions for various vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes. We deduce here the general expression for these descriptors, and show that a simple and generally
Gutman Ivan, Furtula Boris
doaj +1 more source
A transferable artificial neural network model for atomic forces in nanoparticles
, 2018 We have designed a new method to fit the energy and atomic forces using a single artificial neural network (SANN) for any number of chemical species present in a molecular system.
Bulusu, Satya S., Jindal, Shweta
core +1 more source
This Is Not a Myeloproliferative Neoplasm…
Pediatric Blood &Cancer, EarlyView.
Stephanie Juané Kennedy
wiley +1 more source
FEBS Letters, EarlyView.Enteropathogenic E. coli (EPEC) infects the human intestinal epithelium, resulting in severe illness and diarrhoea. In this study, we compared the infection of cancer‐derived cell lines with human organoid‐derived models of the small intestine. We observed a delayed in attachment, inflammation and cell death on primary cells, indicating that host ...
Mastura Neyazi +5 more
wiley +1 more source
Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes
Journal of the Turkish Chemical Society, Section A: ChemistryThe combination of advanced scientific computing and quantum chemistry improves the existing approach in all chemistry and material science fields. Machine learning has revolutionized numerous disciplines within chemistry and material science.
Nurul Aimi Zakaria +2 more
doaj +1 more source