Application of molecular docking simulation to screening of metal–organic frameworks

Author:

Keshavarz FatemehORCID,Barbiellini BernardoORCID

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference45 articles.

1. Molecular docking in modern drug discovery: principles and recent applications;Sethi;Drug Discov. Dev.-New Adv.,2019

2. Molecular docking and molecular dynamics simulation;Singh,2022

3. Interactive flexible-receptor molecular docking in virtual reality using DockIT;Iakovou;J. Chem. Inf. Model.,2022

4. Molecular docking: challenges, advances and its use in drug discovery perspective;Saikia;Curr. Drug Targets,2019

5. Development of computational methodologies for metal–organic frameworks and their application in gas separations;Yang;Chem. Rev.,2013

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