Results 41 to 50 of about 2,430,102 (287)
International Journal of STEM Education, 2023 Contemporary science is a field that is becoming increasingly computational. Today’s scientists not only leverage computational tools to conduct their investigations, they often must contribute to the design of the computational tools for their specific ...
Timothy Hurt +8 more
doaj +1 more source
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source
FEBS Letters, EarlyView.In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai +9 more
wiley +1 more source
Mathematical modeling based on ordinary differential equations: A promising approach to vaccinology
Human Vaccines & Immunotherapeutics, 2017 New contributions that aim to accelerate the development or to improve the efficacy and safety of vaccines arise from many different areas of research and technology.
Carla Rezende Barbosa Bonin +3 more
doaj +1 more source
Quantum Mechanics with Trajectories: Quantum Trajectories and Adaptive Grids [PDF]
, 2003 Although the foundations of the hydrodynamical formulation of quantum mechanics were laid over 50 years ago, it has only been within the past few years that viable computational implementations have been developed.
Bittner, Eric R., Wyatt, Robert E.
core +2 more sources
Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
wiley +1 more source
Looking for Design in Materials Design
, 2004 Despite great advances in computation, materials design is still science fiction. The construction of structure-property relations on the quantum scale will turn computational empiricism into true design.Comment: 3 pages, 1 ...
CS Smith +5 more
core +1 more source
Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system
FEBS Letters, EarlyView.Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley +1 more source
The science in computer science
Communications of the ACM, 2013 Computer science is in a period of renaissance as it rediscovers its science roots.
openaire +2 more sources
A synthetic benzoxazine dimer derivative targets c‐Myc to inhibit colorectal cancer progression
Molecular Oncology, EarlyView.Benzoxazine dimer derivatives bind to the bHLH‐LZ region of c‐Myc, disrupting c‐Myc/MAX complexes, which are evaluated from SAR analysis. This increases ubiquitination and reduces cellular c‐Myc. Impairing DNA repair mechanisms is shown through proteomic analysis.
Nicharat Sriratanasak +8 more
wiley +1 more source