[1]
Xu, Z. Computational drug screening targeting viral proteins of Zika and Dengue fever. J. Med. Chem., 2020, 63(4), 1543-1555.
[PMID: 31986036]
[PMID: 31986036]
[2]
Manikkam, M. Molecular dynamics simulation studies on dengue virus NS2B-NS3 protease complexed with inhibitors. J. Biomol. Struct. Dyn., 2019, 37(7), 1897-1909.
[3]
Jaghoori, M.M. DeepDrug3D: Classification of ligand-binding pockets in proteins with a convolutional neural network. J. Chem. Inf. Model., 2017, 57(11), 2808-2818.
[4]
Pereira, J.C.; Caffarena, E.R.; dos Santos, C.N. Boosting docking-based virtual screening with deep learning. J. Chem. Inf. Model., 2016, 56(12), 2495-2506.
[http://dx.doi.org/10.1021/acs.jcim.6b00355] [PMID: 28024405]
[http://dx.doi.org/10.1021/acs.jcim.6b00355] [PMID: 28024405]
[5]
Wallach, I. AtomNet: A deep convolutional neural network for bioactivity prediction in structure-based drug discovery , arXiv:1510.02855.2015
[6]
Zhang, L. Computational approaches for designing selective inhibitors targeting SARS-CoV-2 main protease. Front. Mol. Biosci., 2020, 7, 208.
[7]
Gao, Y. Structure-based virtual screening and optimization of SARS-CoV-2 3CL protease inhibitors. Bioorg. Chem., 2021, 112, 104910.
[8]
Li, L. Identification of novel small-molecule inhibitors targeting the Ebola virus VP35 protein. Antiviral Res., 2019, 171, 104590.
[9]
de Vries, R.P. Structure-based identification of hemagglutinin mutations enabling the emergence of the 2009 pandemic influenza A (H1N1) virus. J. Virol., 2015, 89(15), 8049-8057.
[10]
Lomize, M.A. Drug repurposing for influenza a virus neuraminidase inhibitors based on 3D protein structures using computer-aided drug design approaches. J. Biomol. Struct. Dyn., 2021, 1-18.
[11]
Wang, R. Virtual screening and molecular dynamics simulations for identification of potential DNA gyrase inhibitors. J. Biomol. Struct. Dyn., 2020, 38(4), 1139-1151.
[PMID: 32037968]
[PMID: 32037968]
[12]
Sangshetti, J.N. Molecular dynamics simulation studies of topoisomerase IV inhibition by novel benzothiazole derivatives. J. Biomol. Struct. Dyn., 2019, 37(2), 387-398.
[13]
Anandan, S. Identification of potential inhibitors against LpxC of Acinetobacter baumannii through computer-aided drug design. J. Biomol. Struct. Dyn., 2021, 39(5), 1815-1831.
[14]
Kumar, N. Insights into the molecular dynamics and ligand interaction studies of lpxC protein of Escherichia coli. J. Biomol. Struct. Dyn., 2022, 40(5), 1674-1688.
[15]
Williams, A.H.; Immormino, R.M.; Gewirth, D.T.; Raetz, C.R.H. Structure of UDP- N -acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide. Proc. Natl. Acad. Sci., 2006, 103(29), 10877-10882.
[http://dx.doi.org/10.1073/pnas.0604465103] [PMID: 16835299]
[http://dx.doi.org/10.1073/pnas.0604465103] [PMID: 16835299]
[16]
Jenkins, R.J.; Dotson, G.D. Dual targeting antibacterial peptide inhibitor of early lipid A biosynthesis. ACS Chem. Biol., 2012, 7(7), 1170-1177.
[http://dx.doi.org/10.1021/cb300094a] [PMID: 22530734]
[http://dx.doi.org/10.1021/cb300094a] [PMID: 22530734]
[17]
Sheikh, J.A. In silico design of multi-epitope vaccine against avian influenza virus subtype H9N2. Vaccines, 2021, 9(6), 640.
[PMID: 34208017]
[PMID: 34208017]
[18]
Khan, A. Immunoinformatics-guided design of a novel multi-epitope vaccine against avian influenza H5N1. Vaccines, 2021, 9(3), 192.
[PMID: 33669067]
[PMID: 33669067]
Related Books
Science of Spices and Culinary Herbs - Latest Laboratory, Pre-clinical, and Clinical Studies
Advances in Organic Synthesis
Frontiers in Natural Product Chemistry
Recent Advances in Analytical Techniques
Frontiers in Drug Design and Discovery
Therapeutic Use of Plant Secondary Metabolites
Frontiers in Computational Chemistry
Frontiers in Bioactive Compounds
Photophysics of Supramolecular Architectures
Advances in Organic Synthesis
