Ripoll DR - Search Results

1

Open "back door" in a molecular dynamics simulation of acetylcholinesterase.

Gilson MK, Straatsma TP, McCammon JA, Ripoll DR, Faerman CH, Axelsen PH, Silman I, Sussman JL. Gilson MK, et al. Among authors: ripoll dr. Science. 1994 Mar 4;263(5151):1276-8. doi: 10.1126/science.8122110. Science. 1994. PMID: 8122110

2

Site-directed mutants designed to test back-door hypotheses of acetylcholinesterase function.

Faerman C, Ripoll D, Bon S, Le Feuvre Y, Morel N, Massoulié J, Sussman JL, Silman I. Faerman C, et al. FEBS Lett. 1996 May 13;386(1):65-71. doi: 10.1016/0014-5793(96)00374-2. FEBS Lett. 1996. PMID: 8635606 Free article.

3

An electrostatic mechanism for substrate guidance down the aromatic gorge of acetylcholinesterase.

Ripoll DR, Faerman CH, Axelsen PH, Silman I, Sussman JL. Ripoll DR, et al. Proc Natl Acad Sci U S A. 1993 Jun 1;90(11):5128-32. doi: 10.1073/pnas.90.11.5128. Proc Natl Acad Sci U S A. 1993. PMID: 8506359 Free PMC article.

4

Conformational analysis of a 12-residue analogue of mastoparan and of mastoparan X.

Faerman CH, Ripoll DR. Faerman CH, et al. Among authors: ripoll dr. Proteins. 1992 Feb;12(2):111-6. doi: 10.1002/prot.340120204. Proteins. 1992. PMID: 1603800

5

Backbone makes a significant contribution to the electrostatics of alpha/beta-barrel proteins.

Raychaudhuri S, Younas F, Karplus PA, Faerman CH, Ripoll DR. Raychaudhuri S, et al. Among authors: ripoll dr. Protein Sci. 1997 Sep;6(9):1849-57. doi: 10.1002/pro.5560060905. Protein Sci. 1997. PMID: 9300484 Free PMC article.

6

Charge is the major discriminating factor for glutathione reductase versus trypanothione reductase inhibitors.

Faerman CH, Savvides SN, Strickland C, Breidenbach MA, Ponasik JA, Ganem B, Ripoll D, Krauth-Siegel RL, Karplus PA. Faerman CH, et al. Bioorg Med Chem. 1996 Aug;4(8):1247-53. doi: 10.1016/0968-0896(96)00120-4. Bioorg Med Chem. 1996. PMID: 8879546 Free article.

7

Molecular simulation study of cooperativity in hydrophobic association.

Czaplewski C, Rodziewicz-Motowidło S, Liwo A, Ripoll DR, Wawak RJ, Scheraga HA. Czaplewski C, et al. Among authors: ripoll dr. Protein Sci. 2000 Jun;9(6):1235-45. doi: 10.1110/ps.9.6.1235. Protein Sci. 2000. PMID: 10892816 Free PMC article.

8

The multiple-minima problem in the conformational analysis of polypeptides. III. An electrostatically driven Monte Carlo method: tests on enkephalin.

Ripoll DR, Scheraga HA. Ripoll DR, et al. J Protein Chem. 1989 Apr;8(2):263-87. doi: 10.1007/BF01024949. J Protein Chem. 1989. PMID: 2736043

9

Calculation of protein conformation by global optimization of a potential energy function.

Lee J, Liwo A, Ripoll DR, Pillardy J, Scheraga HA. Lee J, et al. Among authors: ripoll dr. Proteins. 1999;Suppl 3:204-8. doi: 10.1002/(sici)1097-0134(1999)37:3+<204::aid-prot26>3.3.co;2-6. Proteins. 1999. PMID: 10526370

10

Recent improvements in prediction of protein structure by global optimization of a potential energy function.

Pillardy J, Czaplewski C, Liwo A, Lee J, Ripoll DR, Kaźmierkiewicz R, Oldziej S, Wedemeyer WJ, Gibson KD, Arnautova YA, Saunders J, Ye YJ, Scheraga HA. Pillardy J, et al. Among authors: ripoll dr. Proc Natl Acad Sci U S A. 2001 Feb 27;98(5):2329-33. doi: 10.1073/pnas.041609598. Epub 2001 Feb 20. Proc Natl Acad Sci U S A. 2001. PMID: 11226239 Free PMC article.

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