Results 91 to 100 of about 2,870,671 (335)
FEBS Letters, EarlyView.Venom peptides have shown promise in treating pain. Our study uses computer screening to identify a peptide that targets a sodium channel (NaV1.7) linked to chronic pain. We produced the peptide in the laboratory and refined its design, advancing the search for innovative pain therapies.
Gagan Sharma +8 more
wiley +1 more source
The power of microRNA regulation—insights into immunity and metabolism
FEBS Letters, EarlyView.MicroRNAs are emerging as crucial regulators at the intersection of metabolism and immunity. This review examines how miRNAs coordinate glucose and lipid metabolism while simultaneously modulating T‐cell development and immune responses. Moreover, it highlights how cutting‐edge artificial intelligence applications can identify miRNA biomarkers ...
Stefania Oliveto +2 more
wiley +1 more source
Density-functional perturbation theory goes time-dependent
Atti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali, 2008 The scope of time-dependent density-functional theory (TDDFT) is limited to the lowest portion of the spectrum of rather small systems (a few tens of atoms at most).
Gebauer, Ralph +2 more
doaj +1 more source
Molecules, 2023 Citalopram (CIT) is a commonly prescribed medication for depression. However, the photodegradation mechanism of CIT has not yet been fully analyzed. Therefore, the photodegradation process of CIT in water is studied by density functional theory and time ...
Yifan Shen +5 more
doaj +1 more source
Integer Discontinuity of Density Functional Theory
, 2014 Density functional approximations to the exchange-correlation energy of Kohn-Sham theory, such as the local density approximation and generalized gradient approximations, lack the well-known integer discontinuity, a feature that is critical to describe ...
Mosquera, Martin A., Wasserman, Adam
core +1 more source
Symmetry energy in nuclear density functional theory [PDF]
, 2013 The nuclear symmetry energy represents a response to the neutron-proton asymmetry. In this survey we discuss various aspects of symmetry energy in the framework of nuclear density functional theory, considering both non-relativistic and relativistic self-
Nazarewicz, W. +3 more
core +4 more sources
The ONETEP linear-scaling density functional theory program.
Journal of Chemical Physics, 2020 We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers.
Joseph C. A. Prentice +35 more
semanticscholar +1 more source
The Saccharomyces cerevisiae amino acid transporter Lyp1 has a broad substrate spectrum
FEBS Letters, EarlyView.In Saccharomyces cerevisiae, Yeast Amino acid Transporter family members mediate the import of amino acids, ranging from substrate specialists to generalists. Here, we show that the specialist transporter, Lyp1, has a broader substrate spectrum than previously described, with affinity constants spanning from micromolar to millimolar.
Foteini Karapanagioti +3 more
wiley +1 more source
Introducing a new correlation functional in density functional theory
Scientific ReportsThe correlation functional holds significance in density functional theory as it addresses electron–electron interactions beyond the mean-field approximation, enhancing the accuracy of total energy calculations, electronic excitations, and the prediction
Esmaeil Rahmatpour, Asghar Esmaeili
doaj +1 more source
Spherical Subspace Potential Functional Theory
Computation, 2023 The recently introduced version of the density functional theory that employs a set of spherically symmetric densities instead of the density has a ‘set-representability problem’.
Ágnes Nagy
doaj +1 more source