Molecular Dynamics Simulations in Drug Discovery

Author:

dos Santos Nascimento Igor José1,de Moura Ricardo Olimpio1

Affiliation:

1. Programa de Pós-graduação em Ciências Farmacêuticas, Universidade Estadual da Paraíba – Campina Grande, Brazil

Abstract

Publisher

Bentham Science Publishers Ltd.

Reference8 articles.

1. Nascimento I.J. dos S.; de Aquino T.M.; da Silva-Júnior E.F.; The New Era of Drug Discovery: The Power of Computer-Aided Drug Design (CADD). Lett Drug Des Discov 2022,19,951-955

2. dos Santos Nascimento I.J.; da Silva Rodrigues É.E.; da Silva M.F.; de Araújo-Júnior J.X.; de Moura R.O.; Advances in Computational Methods to Discover New NS2B-NS3 Inhibitors Useful Against Dengue and Zika Viruses. Curr Top Med Chem 2022,22,2435-2462

3. dos Santos Nascimento I.J.; de Aquino T.M.; da Silva-Júnior E.F.; Drug Repurposing: A Strategy for Discovering Inhibitors against Emerging Viral Infections. Curr Med Chem 2021,28,2887-2942

4. Tavares C.A.; Santos T.M.R.; Gonçalves M.A.; Cunha E.F.F.; Ramalho T.C.; Enhanced Sampling in Molecular Dynamics Simulations : How Many MD Snapshots Can Be Needed to Reproduce the Biological Behavior ? ,1-7

5. Vijayakumar S.; Laxman Kumar L.; Borkotoky S.; Murali A.; The Application of MD Simulation to Lead Identification, Vaccine Design, and Structural Studies in Combat against Leishmaniasis - A Review. Mini-Reviews. Med Chem 2023,23

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