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Mini-Reviews in Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 1389-5575
ISSN (Online): 1875-5607

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Editorial

Molecular Dynamics Simulations in Drug Discovery

Author(s): Igor José dos Santos Nascimento and Ricardo Olimpio de Moura

Volume 24, Issue 11, 2024

Published on: 02 April, 2024

Page: [1061 - 1062] Pages: 2

DOI: 10.2174/138955752411240402134719

Price: $65

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[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.
[6]
Wu, D.; Prem, A.; Xiao, J.; Salsbury, F.R. Thrombin - A Molecular Dynamics Perspective. Mini-Reviews. Med. Chem., 2023, 23.
[7]
Kawsar, S.M.A.; Munia, N.S.; Saha, S.; Ozeki, Y. In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Simulation Studies of Nucleoside Analogs for Drug Discovery- A Mini Review. Mini-Reviews. Med. Chem., 2023, 24.
[8]
dos Santos Nascimento, I.J.; Santana Gomes, J.N.; de Oliveira Viana, J. de Medeiros e Silva, Y.M.S.; Barbosa, E.G.; de Moura, R.O. The Power of Molecular Dynamics Simulations and Their Applications to Discover Cysteine Protease Inhibitors. Mini-Reviews. Med. Chem., 2023, 23.

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