Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
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A propofol binding site in the voltage sensor domain mediates inhibition of HCN1 channel activity. [PDF]
Burtscher V+9 more
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Beyond Order: Perspectives on Leveraging Machine Learning for Disordered Materials
This article explores how machine learning (ML) revolutionizes the study and design of disordered materials by uncovering hidden patterns, predicting properties, and optimizing multiscale structures. It highlights key advancements, including generative models, graph neural networks, and hybrid ML‐physics methods, addressing challenges like data ...
Hamidreza Yazdani Sarvestani+4 more
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Evolution of a SHOOTMERISTEMLESS transcription factor binding site promotes fruit shape determination. [PDF]
Hu ZC+12 more
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Performance Comparison of Surface Sensitizers for Diode Laser Powder Bed Fusion of Polyamide 12
Laser‐generated nanoparticles transform standard PA12 powders into high‐performance, dye‐free feedstocks for diode laser 3D printing. Despite identical absorbance at 808 nm, CuS, LaB6, and CB coatings reveal striking differences in fusion and strength—unlocking new design space for recyclable, industrial‐grade polymers.
Michael Willeke+9 more
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Cryo-EM structures define the electron bifurcating flavobicluster and ferredoxin binding site in an archaeal Nfn-Bfu transhydrogenase. [PDF]
Xiao X+7 more
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Ca2.5Ag0.3Sm0.2Co4O9 semiconductor materials are synthesized and produced in this study using the sol–gel and cold pressing techniques for thermoelectric generator applications. As template samples are added, the Seebeck coefficient and power factor values rise, peaking at 800 °C for Ca2.5Ag0.3Sm0.2Co4O9 at 274.47 μV K−1 and 0.58 mW mK−2, respectively.
Enes Kilinc+4 more
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Fragment Discovery by X-Ray Crystallographic Screening Targeting the CTP Binding Site of Pseudomonas Aeruginosa IspD. [PDF]
Willocx D+8 more
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Fe‐ and Mn‐containing AlSi alloys undergo aluminothermic reaction with Mn oxide in sessile‐drop and crucible experiments forming poor‐wetting Al2O3 while Mn enriches in the alloy. Primary Fe‐containing particles are preferentially attached to the Mn oxide.
Hanka Becker+6 more
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Functional investigation of a putative calcium-binding site involved in the inhibition of inositol 1,4,5-trisphosphate receptor activity. [PDF]
Arige V+6 more
europepmc +1 more source