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Molecular docking, molecular dynamics simulation, and MM/PBSA analysis of ginger phytocompounds as a potential inhibitor of AcrB for treating multidrug-resistant
Tác giả: Maheswata Sahoo, Dibyajyoti Uttameswar Behera, Mahendra Gaur, Enketeswara Subudhi
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  613.9435
 
Molecular dynamics simulations show how antibodies may rescue HIV-1 mutants incapable of infecting host cells
Tác giả: Dharanish Rajendra, Nikhil Maroli, Narendra M Dixit, Prabal K Maiti
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  530.1433
 
Molecular docking and dynamics simulations revealed the potential inhibitory activity of honey-iQfood ingredients against GSK-3β and CDK5 protein targets for brain health
Tác giả: Nor Hafizah Zakaria, Fatahiya Mohamed Tap, Ghadah Faraj Aljohani, Fadzilah Adibah Abdul Majid
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  621.384152
 
Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetin
Tác giả: El Hassane Anouar
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  530.1433
 
Molecular dynamics simulations assisted investigation of phytochemicals as potential lead candidates against anti-apoptotic Bcl-B protein
Tác giả: Rittik Bhati, Hazel Zadeng, Ekampreet Singh, Ankit Kumar, Monika Jain, J Senthil Kumaran, Amit Kumar Singh, Jayaraman Muthukumaran
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  530.1433
 
Network pharmacology, molecular docking and molecular dynamics simulation of chalcone scaffold-based compounds targeting breast cancer receptors
Tác giả: Noor Zafirah Ismail, Melati Khairuddean, Sadiq Abubakar, Hasni Arsad
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  584.82
 
Combining QSAR techniques, molecular docking, and molecular dynamics simulations to explore anti-tumor inhibitors targeting Focal Adhesion Kinase
Tác giả: Yuan Liu, Jian-Bo Tong, Peng Gao, Xuan-Lu Fan, Xue-Chun Xiao, Yi-Chaung Xing
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  621.3132
 
Molecular insights to the anti-COVID-19 potential of α-, β- and γ-cyclodextrins
Tác giả: Vipul Kumar, Hazna Noor Meidinna, Sunil C Kaul, Dharmender Gupta, Yoshiyuki Ishida, Keiji Terao, Sudhanshu Vrati, Durai Sundar, Renu Wadhwa
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  523.019
 
Molecular docking and MD simulations reveal protease inhibitors block the catalytic residues in Prp8 intein of
Tác giả: Sunita Panda, Madhusmita Rout, Sarbani Mishra, Jyotirmayee Turuk, Sanghamitra Pati, Budheswar Dehury
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  006.31
 
Molecular interaction study of flavonols with human serum albumin by theoretical simulations
Tác giả: Ting Fu, Yan Li, Huiying Chu, Ming Zou, Shanshan Liang, Yuebin Zhang, Xuan Zhang, Guohui Li, Ruoyu Wang
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  268.6
 
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