AlphaFold2‐Guided Cyclic Peptide Stabilizer Design to Target Protein–Protein Interactions
Proteins: Structure, Function, and Bioinformatics, Volume 94, Issue 7, Page 1356-1370, July 2026.ABSTRACT The control and modulation of protein–protein interactions (PPIs) is of central importance for the majority of biological processes and most biomedical applications. Stabilization of PPIs, besides inhibition, is of growing pharmaceutical interest.
Niklas Halbwedl, Martin Zacharias
wiley +1 more source
Fast and Accurate Numerical Integration of the Langevin Equation with Multiplicative Gaussian White Noise. [PDF]
Entropy (Basel)Evstigneev M, Kacmazer D.
europepmc +1 more source
Improving multilevel Monte Carlo for stochastic differential equations with application to the Langevin equation. [PDF]
Proc Math Phys Eng Sci, 2015 Müller EH, Scheichl R, Shardlow T.
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A Data‐Driven Multiscale Scheme for Anisotropic Finite Strain Magneto‐Elasticity
International Journal for Numerical Methods in Engineering, Volume 127, Issue 12, 30 June 2026.ABSTRACT In this work, we develop a neural network‐based, data‐driven, decoupled multiscale scheme for the modeling of structured magnetically soft magnetorheological elastomers (MREs). On the microscale, sampled magneto‐mechanical loading paths are imposed on a representative volume element containing spherical particles and an elastomer matrix, and ...
Heinrich T. Roth +4 more
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Crystal Structure and Conformational Dynamics of N─N Bond‐Forming Piperazate Synthase
ChemBioChem, Volume 27, Issue 12, 26 June 2026.Piperazate synthases (PZSs) catalyze the key N─N bond formation in the biosynthesis of the rare amino acid piperazic acid. X‐ray crystal structures of apo‐ and holo‐SbPZS show a dimeric enzyme with two heme‐containing active sites, where histidine residues coordinate the iron centers.
Nikita Pal +7 more
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Composite generalized Langevin equation for Brownian motion in different hydrodynamic and adhesion regimes. [PDF]
Phys Rev E Stat Nonlin Soft Matter Phys, 2015 Yu HY +3 more
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International Journal of Quantum Chemistry, Volume 126, Issue 11, June 5, 2026.The sol‐gel auto‐combustion‐fabricated Li0.5AlxFe2.5−xO4 nanoferrite with a single phase demonstrated soft magnetic characteristics. Significant changes in band gap and anisotropy were detected in the spin contributions of band structure and density of states, revealing lithium ferrites' potential for photovoltaic and spintronic applications.
Mohd. Hashim +9 more
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Slight Truncation Changes in Iron Oxide Nanocubes Strongly Affect Their Magnetic Properties
Advanced Functional Materials, Volume 36, Issue 48, 15 June 2026.Subtle variations in nanoparticle morphology can lead to significant changes in functional properties. An automated shape‐fitting method captures minor differences in corner truncation between iron oxide nanocubes of similar sizes synthesized under identical conditions, revealing pronounced disparities in their magnetic and hyperthermia behavior ...
Kingsley Poon +7 more
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The Spatial Chemical Langevin Equation and Reaction Diffusion Master Equations: moments and qualitative solutions. [PDF]
Theor Biol Med Model, 2015 Ghosh A, Leier A, Marquez-Lago TT.
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