Search Results - "Faerman, C H"

Open "Back Door" in a Molecular Dynamics Simulation of Acetylcholinesterase by Gilson, M. K., Straatsma, T. P., McCammon, J. A., Ripoll, D. R., Faerman, C. H., Axelsen, P. H., Silman, I., Sussman, J. L.

“…The enzyme acetylcholinesterase generates a strong electrostatic field that can attract the cationic substrate acetylcholine to the active site. However, the…”
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An Electrostatic Mechanism for Substrate Guidance Down the Aromatic Gorge of Acetylcholinesterase by Ripoll, Daniel R., Faerman, Carlos H., Axelsen, Paul H., Silman, Israel, Sussman, Joel L.

“…Electrostatic calculations based on the recently solved crystal structure of acetylcholinesterase (acetylcholine acetylhydrolase, EC 3.1.1.7) indicate that…”
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Backbone makes a significant contribution to the electrostatics of α/β‐barrel proteins by Raychaudhuri, Soumya, Younas, Fayyaz, Karplus, P. Andrew, Faerman, Carlos H., Ripoll, Daniel R.

“…The electrostatic properties of seven α/β‐barrel enzymes selected from different evolutionary families were studied: triose phosphate isomerase,…”
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Insulin antagonism: a novel role for human serum transferrin by Vargas, L, Kawada, M E, Bazaes, S, Karplus, P A, Faerman, C H

“…We have purified alpha2-glycoprotein (alpha2-GP), an insulin antagonist from human plasma which is induced by growth hormone (GH), and shown that pure…”
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Cooperativity of papain-substrate interaction energies in the S2 to S2' subsites by Berti, Paul J, Faerman, Carlos H, Storer, Andrew C

“…Enzyme-substrate contacts in the hydrolysis of ester substrates by the cysteine protease papain were investigated by systematically altering backbone…”
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Conformational analysis of a 12-residue analogue of mastoparan and of mastoparan X by Faerman, C H, Ripoll, D R

“…We have investigated the conformational properties of a truncated analogue of mastoparan and of mastoparan X, both peptides from wasp venom. The…”
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Charge is the major discriminating factor for glutathione reductase versus trypanothione reductase inhibitors by Faerman, Carlos H., Savvides, Savvas N., Strickland, Corey, Breidenbach, Mark A., Ponasik, James A., Ganem, Bruce, Ripoll, Daniel, Luise Krauth-Siegel, R., Andrew Karplus, P.

“…Benson et al. (Biochem. J.1992, 286, 9) reported three novel competitive inhibitors of trypanothione reductase (TR), which were selected to complement a…”
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A transferable distributed multipole model for the electrostatic interactions of peptides and amides by Faerman, Carlos H, Price, Sarah L

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Consensus preferred hydration sites in six FKBP12-drug complexes by Faerman, C H, Karplus, P A

“…A set of consensus hydration sites for the FK506-FKBP12 complex are derived by comparing six FKBP12-drug complexes. These hydration sites include a subset of…”
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Trypanocidal bisbenzylisoquinoline alkaloids are inhibitors of trypanothione reductase by Fournet, A, Inchausti, A, Yaluff, G, Rojas De Arias, A, Guinaudeau, H, Bruneton, J, Breidenbach, M A, Karplus, P A, Faerman, C H

“…Eleven bisbenzylisoquinoline (BBIQ) alkaloids were studied for in vitro trypanocidal activity against trypomastigote forms of the Y strain of Trypanosoma…”
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Toward the design of new inhibitors: a computer modeling approach by Faerman, C H

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