Results 181 to 190 of about 291,222 (247)

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

A Multistep Computational Approach to Achieve a Complete Human 5-Lipoxygenase Structure and Provide a Pharmacophore Model for Further Drug Design. [PDF]

Mol Inform
Lombardo L, Agnello F, Gitto R, De Luca L.   +3 more
europepmc   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Production of Antimicrobial and Antioxidant Metabolites by Penicillium crustosum Using Lemon Peel as a Co-Substrate in Submerged Fermentation. [PDF]

Foods
Núñez-Serrano A, García-Reyes RB, Ascasio-Valdés JA, Aguilar-González CN, García-González A.   +4 more
europepmc   +1 more source

A Novel Gain‐of‐Function ITPR1 Variant Associated With a Movement Disorder Characterized by Tremor and Dystonia

American Journal of Medical Genetics Part A, EarlyView.
ABSTRACT The 1,4,5‐trisphosphate receptor type 1 (ITPR1) gene encodes an endoplasmic reticulum calcium release channel, in which loss‐of‐function mutations have been associated with spinocerebellar ataxias and related neurological phenotypes. Only one gain‐of‐function mutation in the highly conserved suppressor domain of ITPR1 has been previously ...
Emilie T. Théberge, Bo Sun, Ruiwu Wang, Arezoo Mohajeri, Clara D. M. Van Karnebeek, Cornelius F. Boerkoel, Stephanie Huynh, Gabriella Horvath, S. R. Wayne Chen, Anna Lehman   +9 more
wiley   +1 more source

Integrated Morphological, Molecular, and Chemical Characterization of the Macrofungus Pholiota Gallica With Phylogenetic Analysis and in Silico Antioxidant and Anti-Inflammatory Evaluation. [PDF]

Chem Biodivers
Zatout R, Benslama O, Chaouche NK, Lu W, Karunarathna SC, Garzoli S.   +5 more
europepmc   +1 more source

Aufklärung des Wirkmechanismus der Synthetase: Das Dimer der Pyrrolysyl‐tRNA‐Synthetase nutzt sekundäre Bindungsstellen in der Zelle

Angewandte Chemie, EarlyView.
Das Dimer der Pyrrolysyl‐tRNA‐Synthetase zeigt im katalytischen Zyklus einen alternierenden Wirkmodus seiner Monomere, der durch die Belegung sekundärer Bindungsstellen an den Intermonomer‐Grenzflächen außerhalb der katalytischen Bindungsstelle realisiert wird.
Jessica Dröden, Christoph Globisch, Eliane Landwehr, Theresa S. Braun, Daniel Summerer, Christine Peter, Malte Drescher   +6 more
wiley   +1 more source

Gastroprotective Effect of Artemisia herba-alba Leaf Extract in Acetic Acid-Induced Gastric Ulceration in Wistar Rats. [PDF]

Chem Biodivers
Nahdi A, Hammami I, Younes SB, Sakouhi S, El May MV, Mhamdi A, Ali RB.   +6 more
europepmc   +1 more source

Covalent Protein Inhibitors via Tyrosine and Tryptophan Conjugation with Cyclic Imine Mannich Electrophiles

Angewandte Chemie, EarlyView.
Targeted covalent inhibitors (TCI) containing cyclic imine warheads react with tyrosine and tryptophan residues via the Mannich reaction. These cyclic imine warheads show comparable reaction kinetics to cysteine‐reactive electrophiles commonly used in TCIs.
Sijie Wang, Lei Wang, Marco Hadisurya, Siavash Shahbazi Nia, W. Andy Tao, Emily C. Dykhuizen, Casey J. Krusemark   +6 more
wiley   +1 more source

Superiority of Chrysophyllum oliviforme in the green synthesis of highly stable ZnO nanoparticles: metabolomic profiling, quadruple antiviral screening, and comparative MD simulations. [PDF]

Discov Nano
Melk MM, El-Sayed AF.
europepmc   +1 more source