Computational Workflow for Chemical Compound Analysis: From Structure Generation to Molecular Docking

Drug discovery is a complex and expensive process in which only a small proportion of candidate molecules reach clinical approval. Computational methods, particularly computer-aided drug design (CADD), have become fundamental to accelerate and optimize early stages of discovery by integrating chemic...

ver descrição completa

Detalhes bibliográficos

Principais autores:	Jesus Magdiel García-Díaz, Asbiel Felipe Garibaldi-Ríos, Martha Patricia Gallegos-Arreola, Filiberto Gutiérrez-Gutiérrez, Jorge Iván Delgado-Saucedo, Moisés Martínez-Velázquez, Ana María Puebla-Pérez
Formato:	Artigo
Idioma:	Inglês
Publicado em:	MDPI AG 2026-01-01
coleção:	Scientia Pharmaceutica
Assuntos:	computer-aided drug design cheminformatics molecular docking virtual screening ADMET prediction target prediction
Acesso em linha:	https://www.mdpi.com/2218-0532/94/1/9
Tags:	Adicionar Tag Sem tags, seja o primeiro a adicionar uma tag!