Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices

por Oyedele, Abdul-Quddus Kehinde, Ogunlana, Abdeen Tunde, Boyenle, Ibrahim Damilare, Adeyemi, Ayodeji Oluwadamilare, Rita, Temionu Oluwakemi, Adelusi, Temitope Isaac, Abdul-Hammed, Misbaudeen, Elegbeleye, Oluwabamise Emmanuel, Odunitan, Tope Tunji
Publicado 2022

Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations

por Adelusi, Temitope Isaac, Oyedele, Abdul-Quddus Kehinde, Monday, Ojo Emmanuel, Boyenle, Ibrahim Damilare, Idris, Mukhtar Oluwaseun, Ogunlana, Abdeen Tunde, Ayoola, Ashiru Mojeed, Fatoki, John Olabode, Kolawole, Oladipo Elijah, David, Kehinde Busuyi, Olayemi, Akintola Adebola
Publicado 2022