Loại tài liệu:    Chỉ tìm trong: 
71-80 trong số 164 kết quả
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
 
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
 
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
 
Deep-Learning Potential Molecular Dynamics Study on Nanopolycrystalline Al-Er Alloys: Effects of Er Concentration, Grain Boundary Segregation, and Grain Size on Plastic Deformation
Tác giả: Zhen Chang, Li Feng, Hong-Tao Xue, Yan-Hong Yang, Jun-Qiang Ren, Fu-Ling Tang, Xue-Feng Lu, Jun-Chen Li
Xuất bản: United States: Journal of chemical information and modeling , 2025
Bộ sưu tập: NCBI
ddc:  332.1752
 
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:  668.374
 
Diffusion of biomass pyrolysis products in H-ZSM-5 by molecular dynamics simulations [electronic resource]
Tác giả:
Xuất bản: Washington, D.C. : Oak Ridge, Tenn: United States. Dept. of Energy. Office of Energy Efficiency and Renewable Energy ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy , 2016
Bộ sưu tập: Báo, Tạp chí
ddc:  363.738
 
Identifying key determinants and dynamics of SARS-CoV-2/ACE2 tight interaction [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 , 2021
Bộ sưu tập: Báo, Tạp chí
ddc:  616.991
 

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