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

The continuous approval of covalent drugs in recent years for the treatment of diseases has led to an increased search for covalent agents by medicinal chemists and computational scientists worldwide. In the computational parlance, molecular docking which is a popular tool to investigate the interac...

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Detalles Bibliográficos
Autores principales: 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
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Comprehensive Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9441019/
https://www.ncbi.nlm.nih.gov/pubmed/36057867
http://dx.doi.org/10.1007/s11030-022-10523-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9441019/
https://www.ncbi.nlm.nih.gov/pubmed/36057867
http://dx.doi.org/10.1007/s11030-022-10523-4

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