Molecular Informatics, Volume 45, Issue 3, March 2026.Starting from incomplete structural information of 5‐lipoxygenase (5‐LOX), a multistep computational pipeline in silico led to powerful tools for the rational design and identification of novel chelator inhibitors. A reconstruction of the first full‐length 5‐LOX was performed and used to apply docking studies to enable to create a pharmacophore model ...
Lisa Lombardo +3 more
wiley +1 more source
Geometric Direct Minimization for Low-Spin Restricted Open-Shell Hartree-Fock Theory. [PDF]
J Chem Theory ComputBurton HGA.
europepmc +1 more source
Generalization of Optimal Control Saturation Pulse Design for Robust and High CEST Contrast
Magnetic Resonance in Medicine, Volume 95, Issue 3, Page 1360-1374, March 2026.ABSTRACT Purpose Optimal control (OC) chemical exchange saturation transfer (CEST) pulse design for singular pulses that can be used flexibly and robustly with high saturation at different duty cycles, saturation durations, and magnetic field strengths. Theory and Methods An OC framework was developed to design a single‐pulse shape that can be flexibly
Clemens Stilianu +3 more
wiley +1 more source
Thermodynamic analysis and intelligent modeling of statin drugs solubility in supercritical carbon dioxide. [PDF]
Sci RepAmani M, Shahrabadi A, Ardestani NS.
europepmc +1 more source
The von Neumann Stability Analysis of the Fixed‐Stress Schemes in Poroelastodynamics
International Journal for Numerical and Analytical Methods in Geomechanics, Volume 50, Issue 4, Page 1939-1951, March 2026.ABSTRACT We investigate splitting schemes based on the fixed‐stress sequential approach for poroelastodynamic problems. To assess numerical stability, we perform the von Neumann stability analysis on several fixed‐stress schemes for poroelastodynamics, including staggered, stabilized, and iterative methods. Our analysis reveals that while the staggered
Jihoon Kim +2 more
wiley +1 more source
Some generalized recurrence relations for nonlinear equations by using decomposition technique with application of fractal geometry. [PDF]
MethodsXShah FA +3 more
europepmc +1 more source
Proceedings in Applied Mathematics and Mechanics, Volume 26, Issue 1, March 2026.ABSTRACT Crystal plasticity simulations offer insights into the anisotropic deformation of polycrystalline materials such as metals and alloys. However, rate‐independent crystal plasticity models encounter the Taylor ambiguity, where the active slip systems and plastic slip magnitudes are not uniquely defined, posing well‐known numerical challenges [1].
Felix Steinmetz, Lisa Scheunemann
wiley +1 more source
Research on Target Localization Method for Underwater Robot Based on the Bionic Lateral Line System of Fish. [PDF]
Biomimetics (Basel)Lin X +5 more
europepmc +1 more source
Small, Volume 22, Issue 16, 17 March 2026.This review outlines how triboelectric self‐powered tactile sensors can be integrated with neuromorphic devices to emulate human touch. It summarizes current coupling strategies, operational modes, and synaptic functions enabled by triboelectric nanogerator (TENG)‐based systems, while highlighting key mechanisms, performance considerations, and future ...
Fabrizio Torricelli, Giuseppina Pace
wiley +1 more source
Wide-awake vs. regional anesthesia for carpal tunnel release: a prospective study on pain, grip strength, and sleep quality. [PDF]
BMC SurgBayrak A +5 more
europepmc +1 more source