Results 131 to 140 of about 1,367,655 (261)

PairMap2: A Web Application for Intermediate-Molecule Insertion in Relative Binding Free Energy Calculations. [PDF]

Mol Inform
Furui K, Ohue M.
europepmc   +1 more source

Heterotropic regulation and negative homotropic cooperativity

FEBS Open Bio, EarlyView.
We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea, Francesco Angelucci, Federica Arnesano, Gianmarco Pascarella, Patrizio Di Micco, Andrea Bellelli   +5 more
wiley   +1 more source

Adaptive Tensor Train Metadynamics for High-Dimensional Free Energy Exploration. [PDF]

J Chem Theory Comput
Strand NE, Yang S, Khoo Y, Dinner AR.
europepmc   +1 more source

BCG vaccination potentiates oxidative phosphorylation in neonatal myeloid‐derived suppressor cells

FEBS Open Bio, EarlyView.
BCG vaccination enhances oxidative phosphorylation in neonatal MDSCs, impairing their immunosuppressive function. It upregulates electron transport chain genes and mitochondrial activity, increasing ATP and oxygen consumption. Pharmacological OXPHOS inhibition partially restores suppressive capacity, confirming causality.
Yingying Chen, Hui Li
wiley   +1 more source

MARK4 enhances stress granule formation under oxidative stress and increases tau accumulation

FEBS Open Bio, EarlyView.
MARK4 (red dots) localizes to stress granules (orange dots) and promotes their formation under oxidative stress by modulating TIA1 (blue dots). MARK4 and TIA1 synergistically increase tau (purple) accumulation, and the reduction of the TIA1 ortholog suppresses neurodegeneration in a fly model.
Sho Nakajima, Kotone Watanabe, Grigorii Sultanakhmetov, Aoi Fukuchi, Keiya Ito, Sawako Shimizu, Taro Saito, Akiko Asada, Kanae Ando   +8 more
wiley   +1 more source

Collective Variable-Guided Engineering of the Free-Energy Surface of a Small Peptide. [PDF]

J Chem Inf Model
Medaparambath M, Zhilkin A, Mendels D.
europepmc   +1 more source

Recent insights into the molecular mechanism of ubiquinol oxidation by cytochrome bc1

FEBS Open Bio, EarlyView.
The review reflects on the mechanism of the catalytic reaction in cytochrome bc1: the electron bifurcation that involves the separation of two electrons derived from the quinol oxidation to opposite sides of the enzyme across the membrane. This review summarizes the long‐standing effort to understand the mechanism of quinol oxidation catalyzed by ...
Anna Wójcik‐Augustyn, Artur Osyczka, Marcin Sarewicz   +2 more
wiley   +1 more source

Inhibition of Ice Recrystallization by Regulating the Surface Free Energy of Nanoparticles. [PDF]

Small
Li X, Weng J, Guo Y, Li M, Ma Y, Li C, Liu Y, Ma X, Xue C, Zuo Y, Cui Z, He Y, Xu N, Sun B.   +13 more
europepmc   +1 more source

Determinants of undergraduate bioscience engagement: Validating attendance barriers and classroom spatial behaviour across institutions

FEBS Open Bio, EarlyView.
Student engagement extends beyond simple attendance. Across 891 bioscience students from three universities, attendance behaviour was associated mainly with structural influences, whereas classroom spatial behaviour reflected affective and sensory factors.
Nigel Page, Rachel J. Hunt, Lauren J. Albee, Daniel Berwick, Alison Snape   +4 more
wiley   +1 more source

Coverage-Dependent Free-Energy Bottlenecks in CO Adsorption and Desorption on Ru(0001). [PDF]

JACS Au
He JE, Yang M, Chen ZN, Zhu T, Chen J.
europepmc   +1 more source