Search Results - "Spieser, Stéphane A. H"

Covalent Inhibition of Bacterial Quorum Sensing by Amara, Neri, Mashiach, Roi, Amar, Dotan, Krief, Pnina, Spieser, Stéphane A. H, Bottomley, Matthew J, Aharoni, Amir, Meijler, Michael M

“…Chemical coordination of gene expression among bacteria as a function of population density is regulated by a mechanism known as ‘quorum sensing’ (QS). QS in…”
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Assessing Different Classification Methods for Virtual Screening by Plewczynski, Dariusz, Spieser, Stéphane A. H, Koch, Uwe

“…How well do different classification methods perform in selecting the ligands of a protein target out of large compound collections not used to train the…”
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H1PVAT is a novel and potent early-stage inhibitor of poliovirus replication that targets VP1 by TIJSMA, Aloys, THIBAUT, Hendrik Jan, MARCHAND, Arnaud, CHALTIN, Patrick, NEYTS, Johan, LEYSSEN, Pieter, SPIESER, Stéphane A. H, DE PALMA, Armando, KOUKNI, Mohamed, RHODEN, Eric, OBERSTE, Steve, PÜRSTINGER, Gerhard, VOLNY-LURAGHI, Antonia, MARTIN, Javier

“…A novel small molecule, H1PVAT, was identified as a potent and selective inhibitor of the in vitro replication of all three poliovirus serotypes, whereas no…”
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4-Hydroxy-5-pyrrolinone-3-carboxamide HIV-1 integrase inhibitors by Pace, Paola, Spieser, Stéphane A.H., Summa, Vincenzo

“…A series of novel 4-hydroxy-5-pyrrolinone-3-carboxamide HIV-1 integrase inhibitors was identified. SAR around the pyrrolinone core resulted in the discovery of…”
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Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: Improving cell based activity by the quaternarization of a chiral center by Nizi, Emanuela, Orsale, Maria Vittoria, Crescenzi, Benedetta, Pescatore, Giovanna, Muraglia, Ester, Alfieri, Anna, Gardelli, Cristina, Spieser, Stéphane A.H., Summa, Vincenzo

“…In the context of HIV-integrase, dihydroxypyrimidine and N-methyl pyrimidone inhibitors the cellular activity of this class of compounds has been optimized by…”
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Target specific compound identification using a support vector machine by Plewczynski, Dariusz, von Grotthuss, Marcin, Spieser, Stephane A H, Rychlewski, Leszek, Wyrwicz, Lucjan S, Ginalski, Krzysztof, Koch, Uwe

“…In many cases at the beginning of an HTS-campaign, some information about active molecules is already available. Often known active compounds (such as…”
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A Force Field for Phosphoric Acid:  Comparison of Simulated with Experimental Data in the Solid and Liquid State by Spieser, Stéphane A. H, Leeflang, Bas R, Kroon-Batenburg, Loes M. J, Kroon, Jan

“…A force field for phosphoric acid is developed, on the basis of the reproduction of the experimental crystal structure by molecular dynamics (MD) simulations…”
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Performance of machine learning methods for ligand-based virtual screening by Plewczynski, Dariusz, Spieser, Stéphane A H, Koch, Uwe

“…Computational screening of compound databases has become increasingly popular in pharmaceutical research. This review focuses on the evaluation of ligand-based…”
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