Results 81 to 90 of about 99,790 (313)
Minimal parameter implicit solvent model for ab initio electronic-structure calculations [PDF]
, 2011 We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation.
Helal, H. H. +9 more
core +1 more source
An experimental point of view on hydration/solvation in halophilic proteins
Frontiers in Microbiology, 2014 Protein-solvent interactions govern the behaviour of proteins isolated from extreme halophiles. In this work, we compared the solvent envelopes of two orthologous tetrameric malate dehydrogenases from halophilic and non-halophilic bacteria.
Romain eTalon +11 more
doaj +1 more source
Engineering peptides into antibodies—opportunities and strategies for therapeutic innovation
FEBS Letters, EarlyView.Peptides and antibodies occupy complementary therapeutic niches. Peptides recognize difficult targets in a compact format, while antibodies add specificity, long half‐life, and effector functions. This review examines strategies that merge both modalities—peptide grafting into loops, terminal and Fc fusions, and bioconjugation—highlighting how ...
Jinling Wang +2 more
wiley +1 more source
Solvation-Driven Ion Transport and Selectivity in Interfacial Separation Systems
Growing global demands for energy and clean water highlight the need for more advanced and efficient separation and synthesis technologies. Advancing a mechanistic understanding of how ion solvation governs transport and selectivity across chemically ...
Tye David Milazzo (23723232)
core +1 more source
Liver organoids: modelling complexity in homeostasis and disease
FEBS Letters, EarlyView.Studying liver in vitro has been challenging because simple 2D cell cultures fail to capture liver's cellular and architectural complexity. To bridge this gap, scientists increasingly use organoids, 3D liver models which better mimic liver composition and function. This review examines recent advances in liver organoid complexity and realism, discusses
Anna M. Dowbaj, Meritxell Huch
wiley +1 more source
, 2018 We propose a simple procedure that restores the ionization potential theorem as the sole tuning criterion for both the long- and short-range Fock exchange of the range-separated hybrid functional.
Herim Han (5153813) +2 more
core +1 more source
ChemElectroChemAqueous zinc‐ion batteries (AZIBs) are widely regarded as promising next‐generation energy storage systems due to the low cost, inherent safety, and environmental compatibility, However, the practical application of AZIBs is still hindered by ...
Zhenyu Li +8 more
doaj +1 more source
Ligand‐dependent transcriptional heterogeneity in cell cycle gene expression delays G1/S entry
FEBS Letters, EarlyView.EGF and HRG induce distinct G1/S progression programs in ErbB2‐amplified BT474 breast cancer cells. Despite activating the potent ErbB2–ErbB3 heterodimer, HRG does not accelerate cell‐cycle entry. Instead, EGF promotes earlier restriction‐point passage via ERK–FOS signaling, whereas HRG activates the AKT–MYC axis, driving transcriptional heterogeneity ...
Ririn Rahmala Febri +5 more
wiley +1 more source
Uncovering the Interaction Nature of Solvation Shell for Transition‐Metal‐Based Aqueous Batteries
EcoEnergyTransition‐metal‐based aqueous batteries, particularly iron and zinc‐based systems, have emerged as promising candidates for energy storage technologies.
Yuxi Song +7 more
doaj +1 more source
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source