Results 61 to 70 of about 5,401,847 (247)

Optimization of replica exchange molecular dynamics by fast mimicking [PDF]

, 2007
We present an approach to mimic replica exchange molecular dynamics simulations (REMD) on a microsecond time scale within a few minutes rather than the years, which would be required for real REMD.
Jozef Hritz, Oostenbrink, C., Chris Oostenbrink, Hritz, J.   +3 more
core   +2 more sources

Effects of Tabata training combined with iron supplementation on proprioceptive acuity in young women with iron deficiency anemia: a randomized controlled trial

BMC Sports Science, Medicine and Rehabilitation
Background Proprioception is fundamental for accurate movements, balance, and postural control, ensuring stability and orientation in both static and dynamic tasks.
Mohamed Achraf Harrabi, Rahma Ayed, Mouna Turki, Wissal Boughattas, Thouraya Fendri, Fatma Chaari, Ines Mezghani, Choumous Kallel, Haithem Rebai, Fatma Ayadi, Sonia Sahli   +10 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, Dana Reichmann, Gábor Erdős   +2 more
wiley   +1 more source

HIGH SPEED FUNCTIONALITY OPTIMIZATION OF FIVE-PHASE PM MACHINE USING 3RD HARMONIC CURRENT [PDF]

, 2013
This project was supported by the Laboratory of Electrical Engineering and Power Electronics (L2EP) France. It is a successive cooperation project between the control team and optimization team of the laboratory .Some surrogate-assisted optimization ...
GONG, Jinlin, ASLAN, Bassel, SEMAIL, Eric, GONG, Jilin, GILLON, Frédéric   +4 more
core  

Functional comparison of EncB and EncC cargo proteins in iron storage within the Myxococcus xanthus encapsulin

FEBS Letters, EarlyView.
Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell, Thomas Walther, Egbert Hoiczyk   +2 more
wiley   +1 more source

Molecular Characterization of Copper Resistance Bacterial Strains and its Optimization Using Statistical Methods

Journal of Pure and Applied Microbiology
Heavy metal contamination is one of the key environmental complications. Due to some disadvantages of conventional methods, the use of active organisms is becoming more popular technique to remove it.
Jayeshkumar R. Ruparelia, Rishit A. Soni, Hiren K. Patel   +2 more
doaj   +1 more source

Structural and biochemical analysis of a B12 superbinder

FEBS Letters, EarlyView.
BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices, Jacob J. Whittaker, Dirk J. Slotboom, Albert Guskov   +3 more
wiley   +1 more source

Structures of mycobacterial 3‐methylcrotonyl‐CoA carboxylase reveal carrier‐domain translocation between catalytic sites

FEBS Letters, EarlyView.
Mycobacterial 3‐methylcrotonyl‐CoA carboxylase uses a mobile biotin‐carrying domain to shuttle a carboxyl group between two catalytic sites, enabling carboxylation of 3‐methylcrotonyl‐CoA during leucine breakdown. Cryo‐electron microscopy captures the carrier at both sites and reveals an inward loop movement that may prevent futile rebinding to the ...
Ajit Yadav, Bogdan I. Florea, Sebastian Geibel   +2 more
wiley   +1 more source

Mathematical Optimization in Machine Learning for Computational Chemistry

Computation
Machine learning (ML) is transforming computational chemistry by accelerating molecular simulations, property prediction, and inverse design. Central to this transformation is mathematical optimization, which underpins nearly every stage of model ...
Ana Zekić
doaj   +1 more source

From junk to function — How weak selection in eukaryotes builds new parts and drives genomic complexity

FEBS Letters, EarlyView.
How do genomes gain new functional parts? In eukaryotes, which tend to evolve under weak selection, much of the genome is junk. Palazzo and Qiu borrow the logic of Markov chains to show how non‐functional DNA becomes functional through the appearance of intermediate states, which arise due to epistasis, buffering, and biochemical messiness, allowing ...
Alexander F. Palazzo, Yi Qiu
wiley   +1 more source