Results 71 to 80 of about 463,832 (269)

Gromologist: A GROMACS-oriented utility library for structure and topology manipulation

SoftwareX
Despite the increasing automation of workflows for the preparation of systems for molecular dynamics simulations, the custom editing of molecular topologies to accommodate non-standard modifications remains a daunting task even for experienced users.
Miłosz Wieczór, Jacek Czub, Modesto Orozco   +2 more
doaj   +1 more source

Tectonophysical approach to the analysis of geological and geophysical data on gas-condensate deposits with the complex platform cover

Геодинамика и тектонофизика, 2018
The article presents the results of the tectonophysical approach to the analysis of stress fields and the structure of gas–condensate deposits with the complex platform cover. The discussed case is the Kovykta license area (LA) in Eastern Siberia, Russia.
K. Zh. Seminsky, V. A. Sankov, V. V. Ogibenin, Yu. P. Burzunova, A. I. Miroshnichenko, E. A. Gorbunova, I. V. Gorlov, A. S. Smirnov, A. G. Vakhromeev, I. V. Buddo   +9 more
doaj   +1 more source

Reconstructing enzyme evolution by protein engineering

FEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler, Markus R. Busch, Reinhard Sterner   +2 more
wiley   +1 more source

Optimized SILAR Growth of Vertically Aligned ZnO Nanorods for Low-Temperature Acetone Detection

Chemosensors
Vertically oriented morphologies of the semiconducting metal oxide (SMO) surface provide a simple and effective means of enhancing gas sensor performance.
Brahim Ydir, Amine Ajdour, Mouad Soumane, Iulia Antohe, Gabriel Socol, Luiza-Izabela Toderascu, Driss Saadaoui, Imade Choulli, Radouane Leghrib, Houda Lahlou   +9 more
doaj   +1 more source

Physical modeling the formation of roof collapse zones in Vorkuta coal mines

Bulletin of the Mineral Research and Exploration, 2020
Collapse of the roof during mining is a constant threat to the lives of miners and equipment performance. To predict it, different numerical and physical approaches are used.
Boris Yu Zuev, Ruslan S. Istomın, Stanislav V. Kovshov, Vyacheslav M. Kıtsıs   +3 more
doaj   +1 more source

Decoding the dynamic extracellular matrix in cancer—3D models and bioscaffolds rewire the rules of tumor progression

FEBS Letters, EarlyView.
Cancer progression is regulated by the dynamic matrix code of the tumor microenvironment, which influences cellular behavior and disease development. Importantly, matrix remodeling in three‐dimensional cancer models more accurately reflects in vivo conditions compared to conventional two‐dimensional systems.
Sylvia Mangani, Konstantinos Spanopoulos, Zoi Piperigkou, Nikos K. Karamanos   +3 more
wiley   +1 more source

Microbiome‐blood–brain barrier interactions in aging — mechanisms and therapeutic potential

FEBS Letters, EarlyView.
Aging reshapes the gut microbiome (↓SCFA‐producing commensals; ↑pro‐inflammatory outputs), shifting circulating metabolites (↓SCFAs; ↑LPS, ↑TMAO, ↑PAA) that act at the BBB to increase nonspecific transcytosis, alter transport, and promote astrocyte reactivity, heightening brain vulnerability.
Daniel Cuervo‐Zanatta, Hari Baskar Balasubramanian, Amir Pasokh, Marietta Zille   +3 more
wiley   +1 more source

Blind Separation of Skin Chromophores from Multispectral Dermatological Images

Diagnostics
Background/Objectives: Based on Blind Source Separation and the use of multispectral imaging, the new approach we propose in this paper aims to improve the estimation of the concentrations of the main skin chromophores (melanin, oxyhemoglobin and ...
Mustapha Zokay, Hicham Saylani
doaj   +1 more source

Structure‐forward targeting of claudins with synthetic binders

FEBS Letters, EarlyView.
Claudins form the paracellular barriers between epithelial and endothelial tissues at tight junctions and are targets for molecular binders with the goal of modulating barrier permeability. Claudin‐binding molecules are relevant in drug delivery or in altering claudin interactions with disease‐causing proteins.
Alex J. Vecchio
wiley   +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, Ruslana Romaniuk, Hristo L. Svilenov   +2 more
wiley   +1 more source