6   Artículos

 
en línea
Alexander V. Nemukhin,Bella L. Grigorenko,Igor V. Polyakov,Sofya V. Lushchekina    
We illustrate modern modeling tools applied in the computational design of drugs acting as covalent inhibitors of enzymes. We take the Main protease (Mpro) from the SARS-CoV-2 virus as an important present-day representative. In this work, we c... ver más
Revista: Supercomputing Frontiers and Innovations    Formato: Electrónico

 
en línea
Sofya V. Lushchekina,Galina F. Makhaeva,Dana A. Novichkova,Irina V. Zueva,Nadezhda V. Kovaleva,Rudy R. Richardson     Pág. 89 - 97
Molecular docking is one of the most popular tools of molecular modeling. However, in certain cases, like development of inhibitors of cholinesterases as therapeutic agents for Alzheimer's disease, there are many aspects, which should be taken into accou... ver más
Revista: Supercomputing Frontiers and Innovations    Formato: Electrónico

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