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Items: 1 to 20 of 191

1.

Computational drug discovery.

Ou-Yang SS, Lu JY, Kong XQ, Liang ZJ, Luo C, Jiang H.

Acta Pharmacol Sin. 2012 Sep;33(9):1131-40. doi: 10.1038/aps.2012.109. Epub 2012 Aug 27. Review.

2.

Strategy of computer-aided drug design.

Veselovsky AV, Ivanov AS.

Curr Drug Targets Infect Disord. 2003 Mar;3(1):33-40. Review.

PMID:
12570731
3.

Systematic generation of chemical structures for rational drug design based on QSAR models.

Funatsu K, Miyao T, Arakawa M.

Curr Comput Aided Drug Des. 2011 Mar;7(1):1-9. Review.

PMID:
20550510
4.

Overview on the current status of virtual high-throughput screening and combinatorial chemistry approaches in multi-target anticancer drug discovery; Part I.

Geromichalos GD, Alifieris CE, Geromichalou EG, Trafalis DT.

J BUON. 2016 Jul-Aug;21(4):764-779. Review.

PMID:
27685895
5.

Current insights into computer-aided immunotherapeutic design strategies.

Cai Z, Zhang G, Zhang X, Liu Y, Fu X.

Int J Immunopathol Pharmacol. 2015 Sep;28(3):278-85. doi: 10.1177/0394632015588765. Epub 2015 Jun 19.

PMID:
26091813
6.

Role of computer-aided drug design in modern drug discovery.

Macalino SJ, Gosu V, Hong S, Choi S.

Arch Pharm Res. 2015 Sep;38(9):1686-701. doi: 10.1007/s12272-015-0640-5. Epub 2015 Jul 25. Review.

PMID:
26208641
7.

Computational methods for drug design and discovery: focus on China.

Zheng M, Liu X, Xu Y, Li H, Luo C, Jiang H.

Trends Pharmacol Sci. 2013 Oct;34(10):549-59. doi: 10.1016/j.tips.2013.08.004. Epub 2013 Sep 11. Review.

PMID:
24035675
8.

Computer-aided drug discovery research at a global contract research organization.

Kitchen DB.

J Comput Aided Mol Des. 2017 Mar;31(3):309-318. doi: 10.1007/s10822-016-9991-3. Epub 2016 Nov 1.

PMID:
27804014
9.

Computational approaches for drug discovery.

Hung CL, Chen CC.

Drug Dev Res. 2014 Sep;75(6):412-8. doi: 10.1002/ddr.21222.

PMID:
25195585
10.

Quantitative structure-activity relationship: promising advances in drug discovery platforms.

Wang T, Wu MB, Lin JP, Yang LR.

Expert Opin Drug Discov. 2015 Dec;10(12):1283-300. doi: 10.1517/17460441.2015.1083006. Epub 2015 Sep 11. Review.

PMID:
26358617
11.

Optimization methods for virtual screening on novel computational architectures.

Pérez-Sánchez H, Wenzel W.

Curr Comput Aided Drug Des. 2011 Mar;7(1):44-52. Review.

PMID:
20883205
12.

Hierarchical virtual screening approaches in small molecule drug discovery.

Kumar A, Zhang KY.

Methods. 2015 Jan;71:26-37. doi: 10.1016/j.ymeth.2014.07.007. Epub 2014 Jul 27. Review.

PMID:
25072167
13.

Pharmacophore modeling and applications in drug discovery: challenges and recent advances.

Yang SY.

Drug Discov Today. 2010 Jun;15(11-12):444-50. doi: 10.1016/j.drudis.2010.03.013. Epub 2010 Apr 1. Review.

PMID:
20362693
14.

Virtual screening in lead discovery and optimization.

Jain AN.

Curr Opin Drug Discov Devel. 2004 Jul;7(4):396-403. Review.

PMID:
15338948
15.

Computer-aided drug design at Boehringer Ingelheim.

Muegge I, Bergner A, Kriegl JM.

J Comput Aided Mol Des. 2017 Mar;31(3):275-285. doi: 10.1007/s10822-016-9975-3. Epub 2016 Sep 20.

PMID:
27650777
16.

Computational methods in drug discovery.

Sliwoski G, Kothiwale S, Meiler J, Lowe EW Jr.

Pharmacol Rev. 2013 Dec 31;66(1):334-95. doi: 10.1124/pr.112.007336. Print 2014. Review.

17.

Molecular docking and structure-based drug design strategies.

Ferreira LG, Dos Santos RN, Oliva G, Andricopulo AD.

Molecules. 2015 Jul 22;20(7):13384-421. doi: 10.3390/molecules200713384. Review.

18.

Computational chemistry at Janssen.

van Vlijmen H, Desjarlais RL, Mirzadegan T.

J Comput Aided Mol Des. 2017 Mar;31(3):267-273. doi: 10.1007/s10822-016-9998-9. Epub 2016 Dec 19.

PMID:
27995515
19.

[Computational chemistry in structure-based drug design].

Cao R, Li W, Sun HZ, Zhou Y, Huang N.

Yao Xue Xue Bao. 2013 Jul;48(7):1041-52. Review. Chinese.

PMID:
24133970
20.

Use of machine learning approaches for novel drug discovery.

Lima AN, Philot EA, Trossini GH, Scott LP, Maltarollo VG, Honorio KM.

Expert Opin Drug Discov. 2016;11(3):225-39. doi: 10.1517/17460441.2016.1146250. Review.

PMID:
26814169

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