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Chemical physics

A multi-modal co-attention model for accurate drug-target interaction prediction

Wanjun Ma, Wenjun Li, [ ... ], Xiwei Tang

GARN3: A coarse-grained helix centered technique for RNA 3D structures prediction

Jhonatan Silva, Johanne Cohen, Daniel Cordeiro

Finite sample size errors in the context of multiple error sources in quantitative medical imaging: An evaluation for breast magnetic resonance diffusion-weighted imaging

Jessica V. Eberle, Sebastian Bickelhaupt, [ ... ], Frederik B. Laun

Research on pore characteristics and macroscopic performance quantitative prediction of desert sand recycled aggregate concrete based on NMR and grey theory

Xiumei Zheng, Wenbang Zhu, [ ... ], Baochen Tang

Photo-thermoelastic diffusive waves with microconcentration in quantum-modified semiconductors

Amsawrah M. Mohammed, Eman Ghareeb Rezk, [ ... ], Khaled Lotfy

Performance optimization design for constructed wetland coupled with microbial fuel cell for rural domestic sewage treatment

Tuodi Zhang, Songtao Shen, Yingyi Xu

Comprehensive quantum chemical analysis, vibrational spectroscopy, molecular docking, ADMET, and in vitro validation studies of hydroxychloroquine-MRGPRX2 complex in IDH-wildtype glioblastoma

Aliye Demet Demirag, Rahmi Atil Aksoy, [ ... ], Mustafa Yildirim

Study on hydration characteristics and micromechanical properties of illite based on molecular dynamics

Mian Li, Zhangping Yan, [ ... ], Xin Tang

Molecular signature evolution of coal-derived dissolved organic matter under geothermal conditions: FT-ICR MS and machine learning

Peng Ge, Tan Liu, [ ... ], Yanqing Wu

Computational modeling of intravitreal ranibizumab kinetics: Predicting macular drug concentration and half-life

Jabia Mostofa Chowdhury

Multi-task gradient boosting with multi-modal molecular representations for simultaneous prediction of drug clearance and volume of distribution

Gyu-Seong Lee, Hyeong-Gyu Choi, Dae-Keun Park, Hyo Young Kim

Videomicroscopy reveals individual response of MCF7 cells to X-ray irradiation

Joséphine Courouble, Stéphane Plaszczynski, Olivier Seksek

Programming Mat-Poka-yoke system control effect of unsteady convection-diffusion behavior for plastic manufacturing mathematically

Ahmed M. Abed, Ali AlArjani, [ ... ], Rania B. M. Amer

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