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Items: 1 to 20 of 25

1.

Compound collection preparation for virtual screening.

Bologa CG, Oprea TI.

Methods Mol Biol. 2012;910:125-43. doi: 10.1007/978-1-61779-965-5_7.

PMID:
22821595
2.

Structure-based drug screening and ligand-based drug screening with machine learning.

Fukunishi Y.

Comb Chem High Throughput Screen. 2009 May;12(4):397-408. Review.

PMID:
19442067
3.

Integrating virtual screening in lead discovery.

Oprea TI, Matter H.

Curr Opin Chem Biol. 2004 Aug;8(4):349-58. Review.

PMID:
15288243
4.

Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

Ma XH, Jia J, Zhu F, Xue Y, Li ZR, Chen YZ.

Comb Chem High Throughput Screen. 2009 May;12(4):344-57. Review.

PMID:
19442064
5.

Towards improving compound selection in structure-based virtual screening.

Waszkowycz B.

Drug Discov Today. 2008 Mar;13(5-6):219-26. doi: 10.1016/j.drudis.2007.12.002. Epub 2008 Feb 4. Review.

PMID:
18342797
6.

Performance of machine learning methods for ligand-based virtual screening.

Plewczynski D, Spieser SA, Koch U.

Comb Chem High Throughput Screen. 2009 May;12(4):358-68. Review.

PMID:
19442065
7.
8.

NMR and in silico screening.

Rüdisser S, Jahnke W.

Comb Chem High Throughput Screen. 2002 Dec;5(8):591-603. Review.

PMID:
12470256
9.

Strategies for compound selection.

Olah MM, Bologa CG, Oprea TI.

Curr Drug Discov Technol. 2004 Oct;1(3):211-20. Review.

PMID:
16472248
10.

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.

Kirchmair J, Distinto S, Schuster D, Spitzer G, Langer T, Wolber G.

Curr Med Chem. 2008;15(20):2040-53. Review.

PMID:
18691055
11.

Virtual screening in lead discovery and optimization.

Jain AN.

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

PMID:
15338948
12.

Current status of virtual screening as analysed by target class.

Stoermer MJ.

Med Chem. 2006 Jan;2(1):89-112. Review.

PMID:
16787359
13.

Synergies of virtual screening approaches.

Muegge I.

Mini Rev Med Chem. 2008 Aug;8(9):927-33. Review.

PMID:
18691150
14.

Estrogen receptors: molecular interactions, virtual screening and future prospects.

Knox AJ, Meegan MJ, Lloyd DG.

Curr Top Med Chem. 2006;6(3):217-43. Review.

PMID:
16515479
15.

Approaches to virtual screening and screening library selection.

Wildman SA.

Curr Pharm Des. 2013;19(26):4787-96. Review.

PMID:
23260026
16.

Docking, virtual high throughput screening and in silico fragment-based drug design.

Zoete V, Grosdidier A, Michielin O.

J Cell Mol Med. 2009 Feb;13(2):238-48. doi: 10.1111/j.1582-4934.2008.00665.x. Epub 2009 Jan 21. Review.

17.

Free resources to assist structure-based virtual ligand screening experiments.

Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M, Miteva MA.

Curr Protein Pept Sci. 2007 Aug;8(4):381-411. Review.

PMID:
17696871
18.

Virtual screening of compound libraries.

Cerqueira NM, Sousa SF, Fernandes PA, Ramos MJ.

Methods Mol Biol. 2009;572:57-70. doi: 10.1007/978-1-60761-244-5_4. Review.

PMID:
20694685
19.

Virtual screening - what does it give us?

Köppen H.

Curr Opin Drug Discov Devel. 2009 May;12(3):397-407. Review.

PMID:
19396741
20.

Rescoring ligand docking poses.

Zhong S, Zhang Y, Xiu Z.

Curr Opin Drug Discov Devel. 2010 May;13(3):326-34. Review.

PMID:
20443166

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