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Application of molecular dynamic simulation to study food proteins: A review
Singh, Ashutosh, Vanga, Sai Kranthi, Orsat, Valerie, Raghavan, Vijaya
Published in Critical reviews in food science and nutrition (02.11.2018)
Published in Critical reviews in food science and nutrition (02.11.2018)
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Insight into profiled CNT/polymer interphase: A molecular dynamic simulation study of load transfer and shock response
Zhao, Jiawei, Huang, Yilun, Zhang, Qi, Xia, Lidong, Wang, Yutao, Zhang, Weizhen, Gao, Dali, Zhang, Shijun, Wu, Changjiang
Published in Applied surface science (15.01.2025)
Published in Applied surface science (15.01.2025)
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Computer-aided anti-cancer drug discovery of EGFR protein based on virtual screening of drug bank, ADMET, docking, DFT and molecular dynamic simulation studies
Roney, Miah, Dubey, Amit, Hassan Nasir, Muhammad, Tufail, Aisha, Tajuddin, Saiful Nizam, Mohd Aluwi, Mohd Fadhlizil Fasihi, Huq, AKM Moyeenul
Published in Journal of biomolecular structure & dynamics (11.12.2024)
Published in Journal of biomolecular structure & dynamics (11.12.2024)
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Exploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation
Pandey, Rajan Kumar, Narula, Aruna, Naskar, Manisha, Srivastava, Shubham, Verma, Parmila, Malik, Ruchi, Shah, Priyanka, Prajapati, Vijay Kumar
Published in Journal of biomolecular structure & dynamics (12.03.2017)
Published in Journal of biomolecular structure & dynamics (12.03.2017)
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Interaction behavior between bisphenol AP and pepsin: Insights from density functional theory, and spectroscopic and molecular dynamic simulation
Guan, Tianzhu, Li, Ning, Gao, Ya, Zhang, Longfei, Hu, Qin, Li, Huaxiang, Yang, Ming, Xiao, Lixia, Yuan, Lei, Yang, Zhenquan
Published in Quality assurance and safety of crops & food (01.01.2022)
Published in Quality assurance and safety of crops & food (01.01.2022)
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In silico molecular docking and molecular dynamic simulation of potential inhibitors of 3C-like main proteinase (3CLpro) from severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) using selected african medicinal plants
Isa, Mustafa Alhaji, Mustapha, Adam, Qazi, Sahar, Raza, Khalid, Allamin, Ibrahim Alkali, Ibrahim, Muhammad M., Mohammed, Mohammed M.
Published in Advances in traditional medicine (Online) (01.03.2022)
Published in Advances in traditional medicine (Online) (01.03.2022)
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Investigation and drug design for novel molecules from natural products as inhibitors for controlling multiple myeloma disease using in-silico tools
Zari, Ali, Kurdi, Lina A. F., Jaber, Fatima A., Alghamdi, Khalid M. S., Zari, Talal A., Bahieldin, Ahmed, Hakeem, Khalid Rehman, Alnahdi, Hanan S., Edris, Sherif, Ashraf, Ghulam Md
Published in Journal of biomolecular structure & dynamics (24.03.2025)
Published in Journal of biomolecular structure & dynamics (24.03.2025)
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Identification of potential inhibitors of cholinergic and β-secretase enzymes from phytochemicals derived from Gongronema latifolium Benth leaf: an integrated computational analysis
Gyebi, Gideon Ampoma, Ogunyemi, Oludare M., Ibrahim, Ibrahim M., Ogunro, Olalekan B., Afolabi, Saheed O., Ojo, Rotimi J., Anyanwu, Gabriel O., El-Saber Batiha, Gaber, Adebayo, Joseph O.
Published in Molecular diversity (01.06.2024)
Published in Molecular diversity (01.06.2024)
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T266M variants of ANGPTL4 improve lipid metabolism by modifying their binding affinity to acetyl-CoA carboxylase in obstructive sleep apnea
Li, Xinyi, Li, Chenyang, Xue, Wenjun, Wei, Zhicheng, Shen, Hangdong, Wu, Kejia, Zhu, Huaming, Xu, Huajun, Wu, Xiaolin, Yi, Hongliang, Guan, Jian, Yin, Shankai
Published in Annals of medicine (Helsinki) (01.12.2024)
Published in Annals of medicine (Helsinki) (01.12.2024)
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Molecular dynamic simulations of protein/RNA complexes: CRISPR/Csy4 endoribonuclease
Estarellas, Carolina, Otyepka, Michal, Koča, Jaroslav, Banáš, Pavel, Krepl, Miroslav, Šponer, Jiří
Published in Biochimica et biophysica acta (01.05.2015)
Published in Biochimica et biophysica acta (01.05.2015)
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