Results 351 to 360 of about 449,170 (361)

Research advances of molecular docking and molecular dynamic simulation in recognizing interaction between muscle proteins and exogenous additives.

Food Chemistry, 2023
G. Bai, Yiling Pan, Yuemei Zhang, Yang-bai Li, Jinpeng Wang, Ying Wang, W. Teng, Guofeng Jin, Fang Geng, Jinxuan Cao   +9 more
semanticscholar   +1 more source

Molecular simulation of Naringin combined with experimental elucidation – Pharmaceutical activity and Molecular docking against Breast cancer

Journal of Molecular Structure, 2023
Azar Zochedh, Kaliraj Chandran, Mohana Priya, A. Sultan, T. Kathiresan   +4 more
semanticscholar   +1 more source

In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions

Structural Chemistry, 2022
A. Hasan, N. Hussen, Sonam Shakya, J. Jamalis, Mohammad Rizki Fadhil Pratama, Subhash Chander, H. Kharkwal, S. Murugesan   +7 more
semanticscholar   +1 more source

Investigation the interaction between procyanidin dimer and α-amylase: Spectroscopic analyses and molecular docking simulation.

International Journal of Biological Macromolecules, 2018
Taotao Dai, Jun Chen, Qian Li, Panying Li, P. Hu, Cheng-mei Liu, Ti Li   +6 more
semanticscholar   +1 more source

Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies

Journal of Molecular Modeling, 2022
Oussama Abchir, O. Daoui, S. Belaidi, Mebarka Ouassaf, F. A. Qais, S. Elkhattabi, S. Belaaouad, S. Chtita   +7 more
semanticscholar   +1 more source

Deciphering the non-covalent binding patterns of three whey proteins with rosmarinic acid by multi-spectroscopic, molecular docking and molecular dynamics simulation approaches

Food Hydrocolloids, 2022
Yingcong Lu, Ruichen Zhao, Ce Wang, X. Zhang, Cuina Wang   +4 more
semanticscholar   +1 more source

Study on simultaneous binding of resveratrol and curcumin to β-lactoglobulin: Multi-spectroscopic, molecular docking and molecular dynamics simulation approaches

Food Hydrocolloids, 2022
X. Zhang, Yingcong Lu, Ruichen Zhao, Ce Wang, Cuina Wang, Tiehua Zhang   +5 more
semanticscholar   +1 more source

Molecular docking simulation on the interactions of laccase from Trametes versicolor with nonylphenol and octylphenol isomers

Bioprocess and biosystems engineering (Print), 2018
Dan Mo, G. Zeng, Xingzhong Yuan, Ming Chen, L. Hu, Hui Li, Hou Wang, Piao Xu, Cui Lai, Jia Wan, Chen Zhang, Min Cheng   +11 more
semanticscholar   +1 more source

Molecular dynamics simulation of the interactions between sesamol and myosin combined with spectroscopy and molecular docking studies

Food Hydrocolloids, 2022
Ping Han, Ning An, Li Yang, Xudong Ren, Shiling Lu, Huasheng Ji, Qingling Wang, Juan Dong   +7 more
semanticscholar   +1 more source

Bioremediation potential of laccase for catalysis of glyphosate, isoproturon, lignin, and parathion: Molecular docking, dynamics, and simulation.

Journal of Hazardous Materials, 2022
P. Bhatt, Kalpana Bhatt, Wen-juan Chen, Yaohua Huang, Ying Xiao, Siyi Wu, Q. Lei, Jianfeng Zhong, Xixian Zhu, Shaohua Chen   +9 more
semanticscholar   +1 more source