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Journal of Molecular Graphics & Modelling|October 8, 2020
Physics-driven identification of clinically approved and investigation drugs against human neutrophil serine protease 4 (NSP4): A virtual drug repurposing studyJamshaid Ahmad, Saima Ikram, Ahmer Bin Hafeez, et al.Journal of Molecular Graphics & Modelling|October 17, 2020
MEDT study of the 1,3-DC reaction of diazomethane with Psilostachyin and investigation about the interactions of some pyrazoline derivatives with protease (Mpro) of nCoV-2M Salah, M E Belghiti, A O Aitouna, et al.Journal of Molecular Graphics & Modelling|October 16, 2020
Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitorsNiranjan Kumar, Rakesh Srivastava, Amresh Prakash, et al.Journal of Molecular Graphics & Modelling|March 4, 2020
Chromatin modification by olive phenolics: In silico molecular docking studies utilising the phenolic groups categorised in the OliveNet™ database against lysine specific demethylase enzymesEleni Pitsillou, Julia Liang, Andrew Hung, et al.Journal of Molecular Graphics & Modelling|September 13, 2020
Electronic structure, cohesive and magnetic properties of iridium oxide clusters adsorbed on grapheneIsil Ilgaz Aysan, Taylan Gorkan, Ilkay Ozdemir, et al.Journal of Molecular Graphics & Modelling|December 29, 2020
DFT study of cyclic glycine-alanine dipeptide binding to gold nanoclustersMohamed Taha, H R Abd El-Mageed, Ming-Jer LeeJournal of Molecular Graphics & Modelling|July 10, 2021
Computational evidence of new putative allosteric sites in the acetylcholinesterase receptorBehnaz Moghadam, Mitra Ashouri, Hossein Roohi, et al.Journal of Molecular Graphics & Modelling|December 17, 2020
Antiprotozoal QSAR modelling for trypanosomiasis (Chagas disease) based on thiosemicarbazone and thiazole derivativesDiana L Nossa González, Jovanny A Gómez Castaño, Wilson E Rozo Núñez, et al.Journal of Molecular Graphics & Modelling|December 17, 2020
Effect of nelfinavir stereoisomers on coronavirus main protease: Molecular docking, molecular dynamics simulation and MM/GBSA studyMohsen SargolzaeiJournal of Molecular Graphics & Modelling|November 27, 2020
Design a synthetic glucose receptor using computational intelligence approachRajesh Kondabala, Vijay Kumar, Amjad AliPageof 401