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Chemical characterization

Density functional theory investigation of oxygen-deficient SnO_2-x: Optoelectronic property tuning and hydrogen gas interaction

Manoj Kumar, Purnendu Shekhar Pandey, [ ... ], Balkeshwar Singh

Hybrid machine learning driven optimization of multilayer SPR sensor for high sensitivity milk fat detection

Md. Al Amin Islam Utshob, Maymona Binte Juwel, [ ... ], Khandakar Mohammad Ishtiak

Identification of novel peripherally restricted risperidone-like dopamine D2 receptor antagonists for prolactin-mediated neuroprotection through a multi-stage in silico screening

Shinhyun Kim, Won Hee Jo, Jae Ok Cha, Min-Sun Kim

Comparison of inhomogeneous Schottky barrier modeling approaches in SiC polytypes

Fayssal Mekaret, Abdelaziz Rabehi, [ ... ], Zineb Benamara

An efficient ranking deep neural network algorithm for the prediction of Ca²⁺ binding sites of the protein

Pritee Parwekar, Samudrala Gourinath, [ ... ], Asmir Butkovic

Estimation of resting metabolic rate in professional soccer players: A cross-sectional study comparing traditional predictive equations and a preliminary machine learning model against indirect calorimetry

Carlos Abraham Herrera-Amante, Rodrigo Yáñez-Sepúlveda, [ ... ], José Francisco López-Gil

From structural insight to molecule: Integrative molecular simulations identify candidate pyruvate kinase activators

Doni Dermawan, Nasser Alotaiq

Long noncoding RNA Gpr137b-ps mediates 15-PGDH-induced angiogenesis in brain microvasculature following tMCAO in mice

Di Wang, Guojian Zhang, [ ... ], Yujuan Jiao

Kinetic and physicochemical modeling of β-galactosidase from Rhynchophorus palmarum larvae

Sobamfou Marius Kambiré, Mankambou Jacques Gnanwa, [ ... ], Bonito Aristide Karamoko

Spatiotemporal evolution and clustering patterns of settlements from the Neolithic to the Bronze Age (9000–3000 BP) in the Songshan Mountain region, China

Lijie Yan, Xia Wang, Li Zhang, Fei Teng

Highly sensitive refractive index sensor based on asymmetric spectral response of TiO₂ high-contrast grating under LED illumination

Yua Okano, Yuusuke Takashima, Masanobu Haraguchi, Yoshiki Naoi

Fluorite material sources and magmatic–tectonic controls in hydrothermal fluorite deposits

Fengyu Sun, Changling Qu, [ ... ], Xiaochen Ma

Binding Affinity Ranking at the Molecular Initiating Event (BARMIE): An open-source computational pipeline for the rapid screening of chemical interactions with steroid receptors from many species

Fernando Calahorro, Parsa Fouladi, [ ... ], Nic R. Bury

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