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Items: 1 to 20 of 72

1.

Molecular Recognition of Proteinminus signLigand Complexes: Applications to Drug Design.

Babine RE, Bender SL.

Chem Rev. 1997 Aug 5;97(5):1359-1472. No abstract available.

PMID:
11851455
2.

Exploring the mechanisms of molecular recognition by flavins.

Singh R; Geetanjali, Babu CR.

Chem Biodivers. 2005 Apr;2(4):429-46. Review.

PMID:
17191991
4.

Utilising structural knowledge in drug design strategies: applications using Relibase.

G√ľnther J, Bergner A, Hendlich M, Klebe G.

J Mol Biol. 2003 Feb 14;326(2):621-36.

PMID:
12559927
5.

Application of self-organizing maps in compounds pattern recognition and combinatorial library design.

Yan A.

Comb Chem High Throughput Screen. 2006 Jul;9(6):473-80. Review.

PMID:
16842229
6.

The Hydrogen-Bond: computational approaches and applications to drug design.

Rey S, Carrupt PA, Testa B.

Ann Pharm Fr. 2002 Nov;60(6):386-96. Review.

PMID:
12514504
7.

Metal complexes in medicinal chemistry: new vistas and challenges in drug design.

Thompson KH, Orvig C.

Dalton Trans. 2006 Feb 14;(6):761-4. Epub 2005 Nov 23.

PMID:
16437168
8.

SLICK--scoring and energy functions for protein-carbohydrate interactions.

Kerzmann A, Neumann D, Kohlbacher O.

J Chem Inf Model. 2006 Jul-Aug;46(4):1635-42.

PMID:
16859295
9.

A molecular thermodynamic view of DNA-drug interactions: a case study of 25 minor-groove binders.

Shaikh SA, Ahmed SR, Jayaram B.

Arch Biochem Biophys. 2004 Sep 1;429(1):81-99.

PMID:
15288812
10.

Computational design of receptor and sensor proteins with novel functions.

Looger LL, Dwyer MA, Smith JJ, Hellinga HW.

Nature. 2003 May 8;423(6936):185-90.

PMID:
12736688
11.

Organometallic manganese complexes as scaffolds for potential molecular wires.

Venkatesan K, Blacque O, Berke H.

Dalton Trans. 2007 Mar 21;(11):1091-100. Epub 2007 Jan 29.

PMID:
17339991
12.

[Current status of and future perspectives for platinum antitumor drugs].

Chikuma M, Sato T, Komeda S.

Yakugaku Zasshi. 2008 Mar;128(3):307-16. Review. Japanese.

13.

SOFTDOCK: understanding of molecular recognition through a systematic docking study.

Jiang F, Lin W, Rao Z.

Protein Eng. 2002 Apr;15(4):257-63.

PMID:
11983926
14.

RAFT Nano-constructs: surfing to biological applications.

Boturyn D, Defrancq E, Dolphin GT, Garcia J, Labbe P, Renaudet O, Dumy P.

J Pept Sci. 2008 Feb;14(2):224-40. Review.

PMID:
18027902
15.

The role of quantum mechanics in structure-based drug design.

Raha K, Peters MB, Wang B, Yu N, Wollacott AM, Westerhoff LM, Merz KM Jr.

Drug Discov Today. 2007 Sep;12(17-18):725-31. Epub 2007 Aug 31. Review.

PMID:
17826685
16.

Optimizing the use of open-source software applications in drug discovery.

Geldenhuys WJ, Gaasch KE, Watson M, Allen DD, Van der Schyf CJ.

Drug Discov Today. 2006 Feb;11(3-4):127-32. Review.

PMID:
16533710
17.

Recent advances in lipid molecular design.

Bhattacharya S, Bajaj A.

Curr Opin Chem Biol. 2005 Dec;9(6):647-55. Epub 2005 Oct 28. Review.

PMID:
16257570
18.

Structural interaction fingerprints: a new approach to organizing, mining, analyzing, and designing protein-small molecule complexes.

Singh J, Deng Z, Narale G, Chuaqui C.

Chem Biol Drug Des. 2006 Jan;67(1):5-12. Review.

PMID:
16492144
19.

Predicting molecular interactions in silico: I. A guide to pharmacophore identification and its applications to drug design.

Dror O, Shulman-Peleg A, Nussinov R, Wolfson HJ.

Curr Med Chem. 2004 Jan;11(1):71-90. Review.

PMID:
14754427
20.

EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases.

Pang YP, Perola E, Xu K, Prendergast FG.

J Comput Chem. 2001 Nov 30;22(15):1750-1771.

PMID:
12116409

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