Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 85

2.

A critical assessment of docking programs and scoring functions.

Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS.

J Med Chem. 2006 Oct 5;49(20):5912-31.

PMID:
17004707
3.

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps.

Leach AR, Shoichet BK, Peishoff CE.

J Med Chem. 2006 Oct 5;49(20):5851-5. Review. No abstract available.

PMID:
17004700
4.

Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.

Steuber H, Zentgraf M, Gerlach C, Sotriffer CA, Heine A, Klebe G.

J Mol Biol. 2006 Oct 13;363(1):174-87. Epub 2006 Aug 9.

PMID:
16952371
5.

Applying computational modeling to drug discovery and development.

Kumar N, Hendriks BS, Janes KA, de Graaf D, Lauffenburger DA.

Drug Discov Today. 2006 Sep;11(17-18):806-11. Review.

PMID:
16935748
6.

The impact of systems biology and biosimulation on drug discovery and development.

Michelson S.

Mol Biosyst. 2006 Jun;2(6-7):288-91. Epub 2006 May 18.

PMID:
16880946
7.

Discovery of small molecule integrin alphavbeta3 antagonists as novel anticancer agents.

Dayam R, Aiello F, Deng J, Wu Y, Garofalo A, Chen X, Neamati N.

J Med Chem. 2006 Jul 27;49(15):4526-34.

PMID:
16854058
8.

The application of systems biology to drug discovery.

Cho CR, Labow M, Reinhardt M, van Oostrum J, Peitsch MC.

Curr Opin Chem Biol. 2006 Aug;10(4):294-302. Epub 2006 Jul 5. Review.

PMID:
16822703
9.
10.

Virtual ligand screening: strategies, perspectives and limitations.

Klebe G.

Drug Discov Today. 2006 Jul;11(13-14):580-94. Review.

PMID:
16793526
11.

Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy.

Lu Y, Nikolovska-Coleska Z, Fang X, Gao W, Shangary S, Qiu S, Qin D, Wang S.

J Med Chem. 2006 Jun 29;49(13):3759-62.

PMID:
16789731
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.

Strategies for efficient lead structure discovery from natural products.

Rollinger JM, Langer T, Stuppner H.

Curr Med Chem. 2006;13(13):1491-507. Review.

PMID:
16787200
14.
15.

A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors.

Manetti F, Locatelli GA, Maga G, Schenone S, Modugno M, Forli S, Corelli F, Botta M.

J Med Chem. 2006 Jun 1;49(11):3278-86.

PMID:
16722646
16.

An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression.

Becker OM, Dhanoa DS, Marantz Y, Chen D, Shacham S, Cheruku S, Heifetz A, Mohanty P, Fichman M, Sharadendu A, Nudelman R, Kauffman M, Noiman S.

J Med Chem. 2006 Jun 1;49(11):3116-35.

PMID:
16722631
18.

Minimizing false positives in kinase virtual screens.

Perola E.

Proteins. 2006 Aug 1;64(2):422-35.

PMID:
16708364
19.

Use of computer-assisted prediction of toxic effects of chemical substances.

Simon-Hettich B, Rothfuss A, Steger-Hartmann T.

Toxicology. 2006 Jul 5;224(1-2):156-62. Epub 2006 Apr 27. Review.

PMID:
16707203
20.

Structure-based drug design of a novel family of PPARgamma partial agonists: virtual screening, X-ray crystallography, and in vitro/in vivo biological activities.

Lu IL, Huang CF, Peng YH, Lin YT, Hsieh HP, Chen CT, Lien TW, Lee HJ, Mahindroo N, Prakash E, Yueh A, Chen HY, Goparaju CM, Chen X, Liao CC, Chao YS, Hsu JT, Wu SY.

J Med Chem. 2006 May 4;49(9):2703-12.

PMID:
16640330

Supplemental Content

Support Center