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Artículo
Solving molecular flexible docking problems with metaheuristics: A comparative study
(Elsevier, 2015)
The main objective of the molecular docking problem is to find a conformation between a small molecule (ligand) and a receptor molecule with minimum binding energy. The quality of the docking score depends on two factors: ...
Artículo
Molecular Docking Optimization in the Context of Multi-Drug Resistant and Sensitive EGFR Mutants
(MDPI, 2016)
The human Epidermal Growth Factor (EGFR) plays an important role in signaling pathways, such as cell proliferation and migration. Mutations like G719S, L858R, T790M, G719S/T790M or T790M/L858R can alter its conformation, ...