Halgren TA - Search Results

1

Highly potent, orally active diester macrocyclic human renin inhibitors.

Weber AE, Steiner MG, Krieter PA, Colletti AE, Tata JR, Halgren TA, Ball RG, Doyle JJ, Schorn TW, Stearns RA, et al. Weber AE, et al. Among authors: halgren ta. J Med Chem. 1992 Oct 16;35(21):3755-73. doi: 10.1021/jm00099a004. J Med Chem. 1992. PMID: 1433190

2

Synthesis and use of 3-amino-4-phenyl-2-piperidones and 4-amino-2-benzazepin-3-ones as conformationally restricted phenylalanine isosteres in renin inhibitors.

de Laszlo SE, Bush BL, Doyle JJ, Greenlee WJ, Hangauer DG, Halgren TA, Lynch RJ, Schorn TW, Siegl PK. de Laszlo SE, et al. Among authors: halgren ta. J Med Chem. 1992 Mar 6;35(5):833-46. doi: 10.1021/jm00083a006. J Med Chem. 1992. PMID: 1548675

3

Design and synthesis of P2-P1'-linked macrocyclic human renin inhibitors.

Weber AE, Halgren TA, Doyle JJ, Lynch RJ, Siegl PK, Parsons WH, Greenlee WJ, Patchett AA. Weber AE, et al. Among authors: halgren ta. J Med Chem. 1991 Sep;34(9):2692-701. doi: 10.1021/jm00113a005. J Med Chem. 1991. PMID: 1895289

4

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

Holloway MK, Wai JM, Halgren TA, Fitzgerald PM, Vacca JP, Dorsey BD, Levin RB, Thompson WJ, Chen LJ, deSolms SJ. Holloway MK, et al. Among authors: halgren ta. J Med Chem. 1995 Jan 20;38(2):305-17. doi: 10.1021/jm00002a012. J Med Chem. 1995. PMID: 7830273

5

MMFF VI. MMFF94s option for energy minimization studies.

Halgren TA. Halgren TA. J Comput Chem. 1999 May;20(7):720-729. doi: 10.1002/(SICI)1096-987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X. J Comput Chem. 1999. PMID: 34376030

6

MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries.

Halgren TA. Halgren TA. J Comput Chem. 1999 May;20(7):730-748. doi: 10.1002/(SICI)1096-987X(199905)20:7<730::AID-JCC8>3.0.CO;2-T. J Comput Chem. 1999. PMID: 34376036

7

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes.

Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT. Friesner RA, et al. Among authors: halgren ta. J Med Chem. 2006 Oct 19;49(21):6177-96. doi: 10.1021/jm051256o. J Med Chem. 2006. PMID: 17034125

8

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: halgren ta. J Med Chem. 2004 Mar 25;47(7):1739-49. doi: 10.1021/jm0306430. J Med Chem. 2004. PMID: 15027865

9

Potential energy functions.

Halgren TA. Halgren TA. Curr Opin Struct Biol. 1995 Apr;5(2):205-10. doi: 10.1016/0959-440x(95)80077-8. Curr Opin Struct Biol. 1995. PMID: 7648322 Review.

10

Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests.

Kaminski GA, Stern HA, Berne BJ, Friesner RA, Cao YX, Murphy RB, Zhou R, Halgren TA. Kaminski GA, et al. Among authors: halgren ta. J Comput Chem. 2002 Dec;23(16):1515-31. doi: 10.1002/jcc.10125. J Comput Chem. 2002. PMID: 12395421 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

19 results

Search Page