Results 131 to 140 of about 49,829 (265)

Performance of Diffusion Monte Carlo Calculations for Predicting the Relative Energies of Quinoidal and Nonquinoidal Species. [PDF]

J Phys Chem Lett
Mauger N, Benali A, Jordan KD.
europepmc   +1 more source

Positional Distributions of the Tethered Modules in Nitric Oxide Synthase: Monte Carlo Calculations and Pulsed EPR Measurements. [PDF]

J Phys Chem A, 2019
Astashkin AV, Li J, Zheng H, Feng C.
europepmc   +1 more source

Molecular Dynamics‐Guided Sterol Engineering of mRNA‐Lipid Nanoparticles Reprograms Biodistribution and Enhances Spleen‐Selective Immunity

Advanced Science, EarlyView.
Sterol engineering enables precise control of mRNA lipid nanoparticles by tuning membrane organization. Replacing cholesterol with bile acid‐derived sterols redirects protein expression from the liver to the spleen. Notably, CA‐20 LNP enhances antigen‐specific immune responses while exhibiting a favorable safety profile, highlighting sterols as a ...
Sanghyuk Jeon, Seo‐Hyeon Bae, Jungyong Ji, Jisun Lee, Hosam Choi, Min‐Ho Kang, Sang‐In Park, Hyemin Kim, Nakyung Lee, Hajin Lee, Seonghoon Kim, Jungmin Kim, Subin Yoon, Seonghyun Lee, Seongje Cho, Dahyeon Ha, Ayoung Oh, Sohee Jo, Huijeong Choi, Yeeun Lee, Sowon Lee, Hyo‐Jung Park, Gitak Nam, Jisu Shin, Yujin Kang, Wonpil Im, Kiyoun Lee, Jae‐Hwan Nam   +27 more
wiley   +1 more source

Monte Carlo calculations of the radiation absorbed dose to a fetus of a pregnant patient from a dental bitewing X-ray exposure. [PDF]

Radiat Prot Dosimetry
Andersson M, Maroussi E.
europepmc   +1 more source

Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H₂ + Cu(111). [PDF]

J Chem Theory Comput, 2017
Doblhoff-Dier K, Meyer J, Hoggan PE, Kroes GJ.   +3 more
europepmc   +1 more source

Transposable Element–Driven PIEZO Mutation Enhances Locust Flight in Plateau Hypoxia

Advanced Science, EarlyView.
Why transposable elements (TEs) persisted or expanded in genomes remains a mystery. Using integrated analysis of TE macro‐ and microevolution in locusts, our results showed that thousands of TE insertions promoted widespread adaptive variation. Subfamilies of candidate adaptive TEs amplified and reshaped species‐level genomic architecture.
Xuanzhao Li, Ying Liu, Longsheng Xing, Xianliang Huang, Yingming Sun, Lei Yue, Yuze Zhang, Huilong Du, Bing Chen   +8 more
wiley   +1 more source

Monte Carlo calculations of the simulated radiation dose distribution from a dental bitewing X-ray exposure and the usefulness of thyroid protection. [PDF]

Radiat Prot Dosimetry
Andersson M, Maroussi E.
europepmc   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Surface Tension of Infinitely Planar Surfaces from Nucleation Free Energies: A Comparison of Monte Carlo Calculations and Classical Theories. [PDF]

J Chem Theory Comput
Chen B, Nguyen NMN.
europepmc   +1 more source

Pattern‐Aware Intelligence Enables Nondestructive, Rapid Quantification of High‐Aspect‐Ratio Silicon Etching

Advanced Science, EarlyView.
Pattern‐dependent etching is converted into a physical prior for intelligent reconstruction of high‐aspect‐ratio silicon structures. Combining YOLO‐Pose feature extraction with a topography network, the framework retrieves depth, sidewall angle, and scallop texture from minimal destructive observations, enabling accurate cross‐scale metrology and near ...
Shuyan He, Lang Chen, Bo Wen, Yufeng Jin, Wei Wang   +4 more
wiley   +1 more source