Results 91 to 100 of about 297,066 (279)
PROTEIN-PROTEIN DOCKING REFINEMENT USING RESTRAINT MOLECULAR DYNAMICS SIMULATIONS
TASK Quarterly, 2016 A realistic prediction of the structure of protein-protein complexes is of major importance to obtain three-dimensional models for the interaction of proteins to form complexes and assemblies. In addition to the systematic search for putative binding sites on the surface of two binding partners, the second step of a docking effort, the refinement of ...
openaire +2 more sources
Organic Materials of Tomorrow: Horizons of Artificial Intelligence
Advanced Materials, EarlyView.This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
Advanced Materials, Volume 38, Issue 56, 8 October 2026.Sub‐stoichiometric amounts of Na+ or K+ enhance defect healing during Silicalite‐1 (MFI) and TS‐1 calcination by promoting Si–O–Si annealing and healing framework vacancies. The resulting defect‐free zeolites are more hydrophobic and show improved butanol/water separation and improved activity and selectivity in the epoxidation of 1‐hexene, offering a ...
Christos Kanteler +14 more
wiley +1 more source
Nature CommunicationsUnlocking the intricacies of protein structures and interactions within the dynamic landscape of subcellular organelles presents a significant challenge.
Lili Zhao +12 more
doaj +1 more source
Do exporters gain from voluntary export restraints? [PDF]
Most literature suggests that voluntary export restraints (VER) are not very harmful for the exporting country. This paper argues that this view is misconceived.
de Melo, Jaime, Winters, L. Alan
core
Single crystal x-ray diffraction studies on small, medium and large molecules [PDF]
, 1996 Chapter 1. Production of crystals for diffraction analysis would be assisted by the devising of a set of rules which, given molecular formula, could predict crystal formation conditions.
Butterworth, Susanna
core
Multi‐Li+ Coordination for Superior Room‐Temperature Ionic Conductivity in PEO Solid Electrolytes
Advanced Materials, EarlyView.A phosphonate‐functionalized polycarboxylate ether (P‐PCE) is introduced into PEO electrolytes to induce multi‐Li+ ions coordination, which effectively dissociates lithium salts, liberates Li+ from the strong chelation by PEO chains, and promotes fast Li+ hopping between adjacent coordination sites. Simultaneously, this design establishes dynamic, high‐
Hengming Yan +11 more
wiley +1 more source
3D Printed Photon Shield Assembly for Low‐Noise Visual Stimulation During Two‐Photon Imaging in Mice
Advanced Materials Technologies, EarlyView.We present the Photon Shield, an open‐hardware system for low‐noise two‐photon calcium imaging during visual stimulation in mice. Combining a 3D‐printed headplate and rail‐mounted shield substantially reduces stray‐light contamination, as quantitatively verified. Functional validation confirms reliable cortical responses. Open design files enable broad
Gergely Katona +6 more
wiley +1 more source
, 2016 "Big data" has become a major area of research and associated funding, as well as a focus of utopian thinking. In the still growing research community, one of the favourite optimistic analogies for data processing is that of the oil refinery, extracting ...
Eerke A. Boiten, Boiten, Eerke Albert
core +1 more source
Advanced Science, EarlyView.IGFBP4 is upregulated in granulosa cells of aged ovaries across monkeys, mice, and humans. It inhibits YAP signaling, thereby suppressing cell proliferation and contributing to follicular dysfunction. Deletion of Igfbp4 in granulosa cells enhances ovulatory output, improves hormone profiles, and reproductive performance in aged female mice, suggesting ...
Qianhui Hu +8 more
wiley +1 more source