Results 141 to 150 of about 6,315,441 (313)

Protracted molecular dynamics and secondary structure introspection to identify dual-target inhibitors of Nipah virus exerting approved small molecules repurposing

Scientific Reports
Nipah virus (NiV), with its significantly higher mortality rate compared to COVID-19, presents a looming threat as a potential next pandemic, particularly if constant mutations of NiV increase its transmissibility and transmission.
Siyun Yang, Supratik Kar
doaj   +1 more source

Allicin molecules with dna modeling by car-parrinello molecular dynamics. [PDF]

, 2017
Modeling Allicin and DNA Interactions Using Car-Parrinello Molecular ...
Lileikis, Matas,
core  

Lysyl oxidase (LOX)‐mediated remodeling of the extracellular matrix

FEBS Letters, EarlyView.
The lysyl oxidase (LOX) family of enzymes drives extracellular matrix remodeling by oxidizing collagen, elastin, and fibronectin, promoting covalent cross‐link formation. This activity regulates tissue architecture and mechanical properties, while its dysregulation contributes to fibrosis, cardiovascular disease, glaucoma, connective tissue disorders ...
Fernando Rodríguez‐Pascual, Marta Navarro‐Gutiérrez, Verónica Romero‐Albillo, Raquel Jiménez‐Sánchez   +3 more
wiley   +1 more source

Language Models in Molecular Discovery

Under ...
Janakarajan, Nikita, Erdmann, Tim, Swaminathan, Sarath, Laino, Teodoro, Born, Jannis   +4 more
openaire   +3 more sources

Smaller is better: nanobodies meet NMR

FEBS Letters, EarlyView.
Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley   +1 more source

Invisible but not inaccessible—Revealing transient oligomers formed by intrinsically disordered proteins with solution NMR and complementary methods

FEBS Letters, EarlyView.
Transient oligomers formed by intrinsically disordered proteins may be ‘invisible’ to direct detection yet remain accessible to solution NMR through equilibrium‐exchange measurements and pressure‐jump experiments. Complementary methods report on mass, stoichiometry, selected distance distributions, morphology, and internal packing.
Martin D. Gelenter, Ad Bax
wiley   +1 more source

Neutralization of the PTX3/CD44 axis suppresses TGF‐β1 signaling in kidney fibrosis

FEBS Letters, EarlyView.
This study investigates how the PTX3/CD44 axis promotes kidney fibrosis by activating TGF‐β1 signaling. We demonstrate that the neutralizing antibody WHC‐001 effectively inhibits this pathway, suppressing myofibroblast activation and partial epithelial–mesenchymal transition (EMT).
Chao‐Chun Cheng, Shen‐Shin Chang, Feng‐Wei Chen, Ying‐Chieh Su, Thanh Phuong Nguyen, Yu‐Wei Hsiao, Jhih‐Ying Chi, Hsin‐Yin Liang, Ju‐Ming Wang   +8 more
wiley   +1 more source

DNA ligase LigE increases bacterial transformation with damaged extracellular DNA

FEBS Letters, EarlyView.
The DNA ligase LigE from the naturally competent Gram‐negative bacterium Neisseria gonorrhoaea increases transformation with cut extracellular DNA. This process is ATP‐dependent and relies on the catalytic activity of LigE; it also requires that LigE contains an intact periplasmic localisation sequence, indicating that ligE functions in the periplasm ...
Jolyn Pan, Avi Singh, Shrawani Weralupe Gamladdalage, Joanna Hicks, Adele Williamson   +4 more
wiley   +1 more source

Third Lecture Award on the 33rd Molecular Modelling Workshop 2019

Christina Nutschel from JSC received the "Third Lecture Award" from the Molecular Graphics and Modeling Society - Deutschsprachige Sektion (MGMS-DS) e.V. on the 33rd Molecular Modelling Workshop 2019, Erlangen, Germany, for the talk "Large-scale analysis
Gohlke, Christina
core  

Going viral − Virus‐targeting nanobodies for research, diagnostics and therapy

FEBS Letters, EarlyView.
The increasing prevalence of viral diseases represents a major threat for global human health. Nanobodies, small binding fragments derived from camelid heavy‐chain antibodies, offer versatile tools for viral research, diagnostics, and antiviral therapy.
Domenic Ebert, Ulrich Rothbauer
wiley   +1 more source