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Combinatorial Chemistry & High Throughput Screening

Editor-in-Chief

ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

Editorial

CADD and Molecular Dynamic Simulations: Potential Impacts to Conventional Medicines

Author(s): Muhammad Rizwan Javed*

Volume 25, Issue 4, 2022

Published on: 31 December, 2021

Page: [658 - 659] Pages: 2

DOI: 10.2174/1386207325666220104231827

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[1]
Biswal, J.; Jayaprakash, P.; Rayala, S.K.; Venkatraman, G.; Rangasamy, R.; Poopandi, S.; Jeyakanthan, J. Water mapping and scoring approaches to predict the role of hydration sites in binding affinity of PAK1 inhibitors. Comb. Chem. High Throughput Screen., 2021, 24(10), 976-985.
[2]
Singh, S.; Rai, G. Structural insights into the IL12:IL12 receptor complex assembly by molecular modeling, docking, and molecular dynamics simulation. Comb. Chem. High Throughput Screen., 2021.
[3]
Tahir, R.A.; Mughal, S.; Nazir, A.; Noureen, A.; Jawad, A.; Waqas, M.; Sehgal, S.A. The life cycle and in silico elucidation of non-structural replicating proteins of HCV through a pharmacoinformatics approach. Comb. Chem. High Throughput Screen., 2021.
[4]
Tarannum, H.; Nandi, S. Repositioning of RdRp inhibitors against HCV NS5B polymerase utilizing structure-based molecular docking. Comb. Chem. High Throughput Screen., 2021.
[5]
Rehman, A.; Ashfaq, U.A.; Javed, M.R.; Shahid, F.; Noor, F.; Aslam, S. The screening of phytochemicals against NS5 polymerase to treat zika virus infection: integrated computational based approach. Comb. Chem. High Throughput Screen., 2021.
[6]
Pan, C-T.; Dutt, K.; Yen, C-K.; Kumar, A.; Kaushik, A.C.; Wei, D-Q.; Kumar, A.; Wen, Z-H.; Hsu, W-H.; Shiue, Y-L. Characterization of piezoelectric properties of Ag-NPs doped PVDF nanocomposite fibres membrane prepared by near field electrospinning. Comb. Chem. High Throughput Screen., 2021.
[7]
Nawaz, M.Z.; Attique, S.A.; Ain, Q-U.; Alshammari, F.A.; Alhamdi, H.W.; Alghamdi, H.A.; Yan, W. A nanoinformatics approach to evaluate the pharmacological properties of nanoparticles for the treatment of alzheimer’s disease. Comb. Chem. High Throughput Screen., 2021.

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