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Molecular structure

Temperature dependence of adhesive friction properties of rubber asphalt mortar and its mechanism of action

Yuan Du, Ning Li, [ ... ], Xinyuan Liu

External release of entropy by synchronized movements of local secondary structures drives folding of a small, disulfide-bonded protein

Atsushi Sato, Andre Menez

Prediction of drug-target interactions based on substructure subsequences and cross-public attention mechanism

Haikuo Shi, Jing Hu, [ ... ], Xin Xu

Study on rheological properties of POE/VO compound recycled asphalt

Hua Mei, Zhaoxia Hu, [ ... ], Lei Yu

Tracing low-level structures in cryo-electron tomography

Pelayo Alvarez Brecht, Francisco Aguilar-Martínez, [ ... ], Antonio Martinez-Sanchez

Exploring entropy measures with topological indices on colorectal cancer drugs using curvilinear regression analysis and machine learning approaches

Maria Fazal, Salma Kanwal, Muhammad Taskeen Raza, Asima Razzaque

QSPR modeling of some COVID-19 drugs using neighborhood eccentricity-based topological indices: A comparative analysis

Yeliz Kara, Yeşim Saǧlam Özkan, [ ... ], Melaku Berhe Belay

MG-DIFF: A novel molecular graph diffusion model for molecular generation and optimization

Xiaochen Zhang, Shuangxi Wang, Ying Fang, Qiankun Zhang

ProProtein: A platform for fully automated identification of 3D structure fluctuations in MD simulation trajectories

Krzysztof Mularski, Dawid Makalowski, [ ... ], Aleksandra Swiercz

The study on the adsorption characteristics of anthracite under different temperature and pressure conditions

Danan Zhao, Xiaofei Ke, [ ... ], Qu Du

In vitro and molecular modeling insights into α-amylase inhibition by tamarind seed-derived trypsin inhibitor: Implications for hyperglycemic control

Larissa Aida Lemos de Souza, Caio Patrício de Souza Sena, [ ... ], Ana Heloneida de Araujo Morais

Study on the aging performance of SBS modified asphalt in humid and hot environment

Xiaoyan Liu, Ping Li, Jingsheng Pan

Cassini-oval description of atomic binding: New insights into the quantitative relationship between hardness coefficient and bond energy energy

Weicheng Zeng

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