Knoll EH - Search Results

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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.

Dixon SL, Smondyrev AM, Knoll EH, Rao SN, Shaw DE, Friesner RA. Dixon SL, et al. Among authors: knoll eh. J Comput Aided Mol Des. 2006 Oct-Nov;20(10-11):647-71. doi: 10.1007/s10822-006-9087-6. Epub 2006 Nov 24. J Comput Aided Mol Des. 2006. PMID: 17124629

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.

Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, Mainz DT, Repasky MP, Knoll EH, Shelley M, Perry JK, Shaw DE, Francis P, Shenkin PS. Friesner RA, et al. Among authors: knoll eh. J Med Chem. 2004 Mar 25;47(7):1739-49. doi: 10.1021/jm0306430. J Med Chem. 2004. PMID: 15027865

A localized orbital analysis of the thermochemical errors in hybrid density functional theory: achieving chemical accuracy via a simple empirical correction scheme.

Friesner RA, Knoll EH, Cao Y. Friesner RA, et al. Among authors: knoll eh. J Chem Phys. 2006 Sep 28;125(12):124107. doi: 10.1063/1.2263795. J Chem Phys. 2006. PMID: 17014166

Localized orbital corrections for the calculation of ionization potentials and electron affinities in density functional theory.

Knoll EH, Friesner RA. Knoll EH, et al. J Phys Chem B. 2006 Sep 28;110(38):18787-802. doi: 10.1021/jp0619888. J Phys Chem B. 2006. PMID: 16986869

Unimolecular beacons for the detection of DNA-binding proteins.

Knoll E, Heyduk T. Knoll E, et al. Anal Chem. 2004 Feb 15;76(4):1156-64. doi: 10.1021/ac034985p. Anal Chem. 2004. PMID: 14961750

Molecular beacons for detecting DNA binding proteins: mechanism of action.

Heyduk E, Knoll E, Heyduk T. Heyduk E, et al. Anal Biochem. 2003 May 1;316(1):1-10. doi: 10.1016/s0003-2697(03)00004-6. Anal Biochem. 2003. PMID: 12694720

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