Loại tài liệu:    Chỉ tìm trong: 
71-80 trong số 166 kết quả
Experimental investigation and molecular dynamics simulation for the effect of a novel Gemini cationic surfactant on gas coal wettability
Tác giả: Gang Zhou, Kai Huang, Xin Jiang, He Yang, Xi Chen, Jingxu Chen, Guochao Yan, Guoqing Zhang, Qi Wang
Xuất bản: England: Journal of environmental management , 2025
Bộ sưu tập: NCBI
ddc:  001.434
 
Molecular Dynamics Simulation Study on the Influence of Twin Spacing and Temperature on the Deformation Behavior of Nanotwinned AgPd Alloy
Tác giả: Wanxuan Zhang, Kangkang Zhao, Shuang Shan, Fuyi Chen
Xuất bản: Switzerland: Nanomaterials (Basel, Switzerland , 2025
Bộ sưu tập: NCBI
ddc:  523.019
 
CMDmpnn: Combining Comparative Molecular Dynamics and ProteinMPNN to Rapidly Expand Enzyme Substrate Spectrum
Tác giả: Chuan-Qi Sun, Zhi-Min Li, Yu Ji, Ulrich Schwaneberg, Zong-Lin Li
Xuất bản: United States: Journal of chemical information and modeling , 2025
Bộ sưu tập: NCBI
ddc:  515.223
 
Machine learning-driven molecular dynamics unveils a bulk phase transformation driving ammonia synthesis on barium hydride
Tác giả: Axel Tosello Gardini, Umberto Raucci, Michele Parrinello
Xuất bản: England: Nature communications , 2025
Bộ sưu tập: NCBI
ddc:  006.31
 
Non-Adiabatic Molecular Dynamics Methods for Materials Discovery [electronic resource]
Tác giả:
Xuất bản: Washington, D.C. : Oak Ridge, Tenn: United States. Dept. of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy , 2017
Bộ sưu tập: Báo, Tạp chí
ddc:  333.79
 
Molecular Interaction Mechanism and Mechanical Performance of Lignin/Gelatin Composites by Molecular Dynamics Simulation Study
Tác giả: Jieyu Xiong, Kexin Li, Canhui Lin, Chunhong Lu, Hua Shen
Xuất bản: United States: Langmuir : the ACS journal of surfaces and colloids , 2025
Bộ sưu tập: NCBI
ddc:  306.846
 
Synergizing oxygen vacancy engineering and f-Electron doping to Promote dynamics of Rare-Earth-Doped bismuth Oxyhalides for photocatalysis
Tác giả: Xu Fang, Chaojie Yin, Zihao Chen, Lingjie Xuan, Zhuohua Zhang, Xue Geng, Jia Lin, Jiang Wu
Xuất bản: United States: Journal of colloid and interface science , 2025
Bộ sưu tập: NCBI
ddc:  598.8
 
Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster
Tác giả: Carsten Kutzner, Vedran Miletić, Karen Palacio Rodríguez, Markus Rampp, Gerhard Hummer, Bert L de Groot, Helmut Grubmüller
Xuất bản: United States: Journal of computational chemistry , 2025
Bộ sưu tập: NCBI
ddc:  025.3177
 
Molecular Dynamics Simulation Studies of Beta-Glucogallin and Dihydro Dehydro Coniferyl Alcohol from Syzygium cumini for its Antimicrobial Activity on Staphylococcus aureus
Tác giả: N Bhavyashree, M S Vaishnavi, P Shravani, Sasmita Sabat
Xuất bản: United States: Cell biochemistry and biophysics , 2025
Bộ sưu tập: NCBI
ddc:  523.019
 
Design, synthesis, and molecular dynamics-driven evaluation of quinoline-sulfonamide derivatives as potent and selective EGFR inhibitors with promising anti-cancer efficacy and safety profiles
Tác giả: Mahmoud S Elkotamy, Mohamed K Elgohary, Islam A Elkelesh, Mahmoud Abdelrahman Alkabbani, Eman F Khaleel, Wagdy M Eldehna, Hatem A Abdel-Aziz
Xuất bản: United States: Bioorganic chemistry , 2025
Bộ sưu tập: NCBI
ddc:  004.338
 

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