Results 51 to 60 of about 908,779 (266)
Molecular Graph Canonicalization
, 2021 Many kinds of molecular encoding are used in cheminformatics, but all are based on the concept of a molecular graph. A molecular graph is a graph whose nodes and edges are augmented to capture information relevant to molecular structure. Generally speaking, atoms map to nodes and bonds map to edges.
openaire +1 more source
Time after time – circadian clocks through the lens of oscillator theory
FEBS Letters, EarlyView.Oscillator theory bridges physics and circadian biology. Damped oscillators require external drivers, while limit cycles emerge from delayed feedback and nonlinearities. Coupling enables tissue‐level coherence, and entrainment aligns internal clocks with environmental cues.
Marta del Olmo +2 more
wiley +1 more source
Estimating the First, Hyper-Zagreb Index for Direct Product of F-Sum Graphs
MathematicsA chemical graph is an illustration of a chemical compound’s structural formula, where the edges indicate covalent bonding and the vertices depict atoms.
Suha Wazzan, Rauf Irshad
doaj +1 more source
The Structure and Chemical Bond of FOX-7: The AIM Analysis and Vibrational Normal Modes [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2011 FOX-7 (1,1-diamino-2,2-dinitroethylene) recently is expected as a relatively new energetic material with high-performance and low sensitivity. The RHF and MP2 levels and DFT method with B3LYP functional with aug-cc-pVDZ basis set have been used for ...
Jamshid Najafpour, Narges Zohari
doaj
Stability of bicalicene isomers: A topological study [PDF]
Journal of the Serbian Chemical Society, 2016 Bicalicene is the conjugated hydrocarbon obtained by joining two calicene fragments. This can be done in two different ways, thus resulting in two bicalicene isomers (tentatively referred to as cis and trans).
Gutman Ivan
doaj +1 more source
Flux networks in metabolic graphs [PDF]
, 2009 A metabolic model can be represented as bipartite graph comprising linked reaction and metabolite nodes. Here it is shown how a network of conserved fluxes can be assigned to the edges of such a graph by combining the reaction fluxes with a conserved ...
Dantzig G B +9 more
core +1 more source
Molecular Oncology, EarlyView.PARP inhibitors are used to treat a small subset of prostate cancer patients. These studies reveal that PARP1 activity and expression are different between European American and African American prostate cancer tissue samples. Additionally, different PARP inhibitors cause unique and overlapping transcriptional changes, notably, p53 pathway upregulation.
Moriah L. Cunningham +21 more
wiley +1 more source
Molecular Oncology, EarlyView.This study explores salivary RNA for breast cancer (BC) diagnosis, prognosis, and follow‐up. High‐throughput RNA sequencing identified distinct salivary RNA signatures, including novel transcripts, that differentiate BC from healthy controls, characterize histological and molecular subtypes, and indicate lymph node involvement.
Nicholas Rajan +9 more
wiley +1 more source
Molecular graphs and molecular conduction: the d-omni-conductors [PDF]
Physical Chemistry Chemical Physics, 2020 Graph–theoretical distance gives a complete classification of conduction behaviour of alternant and non-alternant molecular devices within the source-sink-potential model.
Fowler, P.W. +3 more
openaire +3 more sources
Molecular Oncology, EarlyView.A comprehensive genomic and proteomic analysis of cervical cancer revealed STK11 and STX3 as a potential biomarkers of chemoradiation resistance. Our study demonstrated EGFR as a therapeutic target, paving the way for precision strategies to overcome treatment failure and the DNA repair pathway as a critical mechanism of resistance.
Janani Sambath +13 more
wiley +1 more source