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Current Topics in Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

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Editorial

In silico Methods for Drug Design

Author(s): Omar Deeb* and Jia Zhou

Volume 23, Issue 3, 2023

Published on: 06 December, 2022

Page: [155 - 157] Pages: 3

DOI: 10.2174/1568026623666221206093350

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Bajusz, D.; Rácz, A.; Héberger, K. Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? J. Cheminform., 2015, 7(1), 20.
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Meng, X.Y.; Zhang, H.X.; Mezei, M.; Cui, M. Molecular docking: A powerful approach for structure-based drug discovery. Curr. Computeraided Drug Des., 2011, 7(2), 146-157.
[http://dx.doi.org/10.2174/157340911795677602] [PMID: 21534921]
[7]
Allen, W.J.; Balius, T.E.; Mukherjee, S.; Brozell, S.R.; Moustakas, D.T.; Lang, P.T.; Case, D.A.; Kuntz, I.D.; Rizzo, R.C. DOCK 6: Impact of new features and current docking performance. J. Comput. Chem., 2015, 36(15), 1132-1156.
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Hospital, A.; Goñi, J.R.; Orozco, M.; Gelpí, J.L. Molecular dynamics simulations: Advances and applications. Adv. Appl. Bioinform. Chem., 2015, 8, 37-47.
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Kumar, A.; Voet, A.; Zhang, K.Y.J. Fragment based drug design: From experimental to computational approaches. Curr. Med. Chem., 2012, 19(30), 5128-5147.
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Chen, H.; Zhou, X.; Wang, A.; Zheng, Y.; Gao, Y.; Zhou, J. Evolutions in fragment-based drug design: The deconstruction–reconstruction approach. Drug Discov. Today, 2015, 20(1), 105-113.
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Chen, H.; Zhou, X.; Gao, Y.; Chen, H.; & Zhou, J. (2017). Fragment-based drug design: Strategic advances and lessons learned. In Drug Discovery Technologies (Vol. 2-8, pp. 212-232). Elsevier Inc.
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Katsila, T.; Spyroulias, G.A.; Patrinos, G.P.; Matsoukas, M.T. Computational approaches in target identification and drug discovery. Comput. Struct. Biotechnol. J., 2016, 14, 177-184.
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Sunseri, J.; Koes, D.R. Pharmit: Interactive exploration of chemical space. Nucleic Acids Res., 2016, 44(W1), W442-W448.
[http://dx.doi.org/10.1093/nar/gkw287] [PMID: 27095195]

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