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Using virtual reality for drug discovery: a promising new outlet for novel leads.
Liu XH, Wang T, Lin JP, Wu MB. Liu XH, et al. Expert Opin Drug Discov. 2018 Dec;13(12):1103-1114. doi: 10.1080/17460441.2018.1546286. Epub 2018 Nov 20. Expert Opin Drug Discov. 2018. PMID: 30457399 Review.
Advances in Computational Structure-Based Drug Design and Application in Drug Discovery.
Wang T, Wu MB, Zhang RH, Chen ZJ, Hua C, Lin JP, Yang LR. Wang T, et al. Curr Top Med Chem. 2016;16(9):901-16. doi: 10.2174/1568026615666150825142002. Curr Top Med Chem. 2016. PMID: 26303430 Review.
The advancement of multidimensional QSAR for novel drug discovery - where are we headed?
Wang T, Yuan XS, Wu MB, Lin JP, Yang LR. Wang T, et al. Expert Opin Drug Discov. 2017 Aug;12(8):769-784. doi: 10.1080/17460441.2017.1336157. Epub 2017 Jun 8. Expert Opin Drug Discov. 2017. PMID: 28562095 Review.
Fragment-based drug discovery and molecular docking in drug design.
Wang T, Wu MB, Chen ZJ, Chen H, Lin JP, Yang LR. Wang T, et al. Curr Pharm Biotechnol. 2015;16(1):11-25. doi: 10.2174/1389201015666141122204532. Curr Pharm Biotechnol. 2015. PMID: 25420726 Review.
Rational design of peptide ligand for affinity chromatography of tissue-type plasminogen activator by the combination of docking and molecular dynamics simulations.
Liu FF, Dong XY, Wang T, Sun Y. Liu FF, et al. J Chromatogr A. 2007 Dec 21;1175(2):249-58. doi: 10.1016/j.chroma.2007.10.074. Epub 2007 Oct 30. J Chromatogr A. 2007. PMID: 17996243
Ten amino acids that have high affinity to three different regions of t-PA are identified by the amino acids location method on the basis of candidate pocket structure of t-PA. Then, 14 tetrapeptides are built and docked into the candidate pocket of t-PA. The …
Ten amino acids that have high affinity to three different regions of t-PA are identified by the amino acids location method on the b …
Rational design of affinity peptide ligand by flexible docking simulation.
Liu FF, Wang T, Dong XY, Sun Y. Liu FF, et al. J Chromatogr A. 2007 Mar 30;1146(1):41-50. doi: 10.1016/j.chroma.2007.01.130. Epub 2007 Feb 4. J Chromatogr A. 2007. PMID: 17298835
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