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Journal of Biomolecular Structure & Dynamics|June 18, 2021
Mechanistic insights into 5-lipoxygenase inhibition by pyocyanin: a molecular docking and molecular dynamics studySaibharath Simha Reddy Santha, A S VishwanathanJournal of Biomolecular Structure & Dynamics|July 19, 2021
A detailed theoretical exploration on the THR-β binding affinities and antioxidant activity of some halogenated bisphenolsSaman Zare Gheshlaghi, Ali Ebrahimi, Zeinab FaghihJournal of Biomolecular Structure & Dynamics|July 20, 2021
Childhood type 1 diabetes mellitus and risk factor of interactions between dietary cow's milk intake and HLA-DR3/DR4 genotypeYasmine Benslama, Nouria Dennouni-Medjati, Majda Dali-Sahi, et al.Journal of Biomolecular Structure & Dynamics|July 26, 2021
Design and in silico investigation of novel Maraviroc analogues as dual inhibition of CCR-5/SARS-CoV-2 MproG Mahaboob Basha, Rishikesh S Parulekar, Abdullah G Al-Sehemi, et al.Journal of Biomolecular Structure & Dynamics|July 14, 2021
Dietary factors and SARS-CoV-2 contagion: in silico studies on modulation of viral and host proteins by spice activesKottapalli Srividya, Snober S Mir, Saravanamuthu Thiyagarajan, et al.Journal of Biomolecular Structure & Dynamics|July 6, 2021
In silico identification of antidiabetic target for phytochemicals of A. marmelos and mechanistic insights by molecular dynamics simulationsPriyanka Sharma, Tushar Joshi, Shalini Mathpal, et al.Journal of Biomolecular Structure & Dynamics|July 21, 2021
A DFT study on OH radical scavenging activities of eriodictyol, Isosakuranetin and pinocembrinŞaban Erdoğan, Dilara Özbakır IşınJournal of Biomolecular Structure & Dynamics|December 4, 2020
In vitro and in silico evaluation of N-(alkyl/aryl)-2-chloro-4-nitro-5- [(4-nitrophenyl)sulfamoyl]benzamide derivatives for antidiabetic potential using docking and molecular dynamic simulationsSamridhi Thakal, Amit Singh, Vikramjeet SinghJournal of Biomolecular Structure & Dynamics|December 4, 2020
A program to automate the discovery of drugs for West Nile and Dengue virus-programmatic screening of over a billion compounds on PubChem, generation of drug leads and automated in silico modellingBen Geoffrey, Akhil Sanker, Rafal Madaj, et al.Journal of Biomolecular Structure & Dynamics|December 4, 2020
DeepA-RBPBS: A hybrid convolution and recurrent neural network combined with attention mechanism for predicting RBP binding siteZhihua Du, Xiangdong Xiao, Vladimir N UverskyPageof 931