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Items: 1 to 20 of 251

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1.

Can we rationally design promiscuous drugs?

Hopkins AL, Mason JS, Overington JP.

Curr Opin Struct Biol. 2006 Feb;16(1):127-36. Epub 2006 Jan 25. Review.

PMID:
16442279
2.

Pathway analysis for design of promiscuous drugs and selective drug mixtures.

Sivachenko A, Kalinin A, Yuryev A.

Curr Drug Discov Technol. 2006 Dec;3(4):269-77. Review.

PMID:
17430103
3.

Network pharmacology: the next paradigm in drug discovery.

Hopkins AL.

Nat Chem Biol. 2008 Nov;4(11):682-90. doi: 10.1038/nchembio.118. Review.

PMID:
18936753
4.

Structural biology and drug discovery.

Scapin G.

Curr Pharm Des. 2006;12(17):2087-97. Review.

PMID:
16796557
5.

From magic bullets to designed multiple ligands.

Morphy R, Kay C, Rankovic Z.

Drug Discov Today. 2004 Aug 1;9(15):641-51. Review.

PMID:
15279847
6.

The impact of parallel chemistry in drug discovery.

Edwards PJ.

IDrugs. 2006 May;9(5):347-53. Review.

PMID:
16676271
7.

Detecting drug promiscuity using Gaussian ensemble screening.

PĂ©rez-Nueno VI, Venkatraman V, Mavridis L, Ritchie DW.

J Chem Inf Model. 2012 Aug 27;52(8):1948-61. doi: 10.1021/ci3000979. Epub 2012 Jul 19.

PMID:
22747187
8.

Importance of molecular computer modeling in anticancer drug development.

Geromichalos GD.

J BUON. 2007 Sep;12 Suppl 1:S101-18. Review.

PMID:
17935268
9.

From drug target to leads--sketching a physicochemical pathway for lead molecule design in silico.

Shaikh SA, Jain T, Sandhu G, Latha N, Jayaram B.

Curr Pharm Des. 2007;13(34):3454-70. Review.

PMID:
18220783
10.

Creating the next generation of protein therapeutics through rational drug design.

Szymkowski DE.

Curr Opin Drug Discov Devel. 2005 Sep;8(5):590-600. Review.

PMID:
16159021
11.

Fragments, network biology and designing multiple ligands.

Morphy R, Rankovic Z.

Drug Discov Today. 2007 Feb;12(3-4):156-60. Epub 2006 Dec 14. Review.

PMID:
17275736
12.

[An advancement in drug research: rational drug design with combinatorial chemistry].

Pindur U.

Pharm Unserer Zeit. 1997 Jan;26(1):24-30. Review. German. No abstract available. Erratum in: Pharm Unserer Zeit 1997 Mar;26(2):112.

PMID:
9157462
13.

The role of fluorine in medicinal chemistry.

Shah P, Westwell AD.

J Enzyme Inhib Med Chem. 2007 Oct;22(5):527-40. Review.

PMID:
18035820
14.

Assessment of additive/nonadditive effects in structure-activity relationships: implications for iterative drug design.

Patel Y, Gillet VJ, Howe T, Pastor J, Oyarzabal J, Willett P.

J Med Chem. 2008 Dec 11;51(23):7552-62. doi: 10.1021/jm801070q.

PMID:
19012393
15.

Ligand-based drug design methodologies in drug discovery process: an overview.

Bacilieri M, Moro S.

Curr Drug Discov Technol. 2006 Sep;3(3):155-65. Review.

PMID:
17311561
16.

Knowledge-based chemoinformatic approaches to drug discovery.

Ghose AK, Herbertz T, Salvino JM, Mallamo JP.

Drug Discov Today. 2006 Dec;11(23-24):1107-14. Epub 2006 Nov 2. Review.

PMID:
17129830
17.

Virtual screening and its integration with modern drug design technologies.

Guido RV, Oliva G, Andricopulo AD.

Curr Med Chem. 2008;15(1):37-46. Review.

PMID:
18220761
18.

How well do medicinal chemists learn from experience?

Cheshire DR.

Drug Discov Today. 2011 Sep;16(17-18):817-21. doi: 10.1016/j.drudis.2011.06.005. Epub 2011 Jun 15. Review.

PMID:
21704183
19.

Scaffold-hopping potential of fragment-based de novo design: the chances and limits of variation.

Krueger BA, Dietrich A, Baringhaus KH, Schneider G.

Comb Chem High Throughput Screen. 2009 May;12(4):383-96. Review.

PMID:
19442066
20.

Informatics and modeling challenges in fragment-based drug discovery.

Hubbard RE, Chen I, Davis B.

Curr Opin Drug Discov Devel. 2007 May;10(3):289-97. Review.

PMID:
17554855
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