Unraveling the Catalytic Pathway of Metalloenzyme Farnesyltransferase through QM/MM Computation
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
Tert.-Cyclobutanols were activated through an enantioselective rhodium(I)-catalyzed insertion into the C-C bond leading to arylrhodium species. These intermediates are converted by a C-H activation mechanism to arylrhodium species that are converted to ind ...
Recently, a novel metal Mg2+-dependent phosphatase activity has been discovered in the N-terminal domain of the soluble epoxide hydrolase (sEH), opening a new branch of fatty acid metabolism and providing an additional site for drug targeting. Importantly, ...
Organometallic ruthenium(II)-arene (RA) antitumour compounds of the general type [Ru(II)(η6-arene)(X)2(pta)], RA-pta, and [Ru(II)(η6-arene)X(en)], RA-en, (X=leaving group; pta=1,3,5-triaza-7-phosphaadamantane, en=ethylenediamine) have been investigated com ...
This thesis describes the application of the quantum mechanics/molecular mechanics (QM/MM) Car-Parrinello methodology to two systems of high biological interest: (a) The potassium channel KcsA from Streptomyces lividans and (b) The DNA repair enzyme EndoIV ...
Reaction of aldehydes, anilines, and enecarbamates in dichloromethane in the presence of EtOH and a catalytic amt. of chiral phosphoric acid I afforded the Mannich adducts which were in situ reduced to anti-1,2-disubstituted 1,3-diamines II in excellent di ...
Ribonuclease H (RNase H) belongs to the nucleotidyl-transferase (NT) superfamily and hydrolyzes the phosphodiester linkages that form the backbone of the RNA strand in RNA x DNA hybrids. This enzyme is implicated in replication initiation and DNA topology ...
The synthesis and in vitro anticancer activity of dihalo(η6-p-cymene)(3,5,6-bicyclophosphite-α-D-glucofuranoside)ruthenium(II) complexes are described. The compds. were characterized by NMR spectroscopy and ESI mass spectrometry, and the mol. structures of ...
The lanthanide complex aquatrichloridobis(1,10-phenanthroline)cerium(III) [Ce(phen)(2)(H2O)Cl-3] (KP776) was fully characterized by elemental analysis, IR-, and H-1- and C-13-NMR spectroscopy, as well as TG/DTA measurements, and its behavior in H2O, import ...
An efficient synthesis of chiral dihydrooxazines from 1-aryl-2-amino-propane-1,3-diols via the corresponding bistrichloroacetimidate intermediates has been developed. In this transformation, one trichloroacetimidate acts as a leaving group and the other ac ...
New pyrrolidine-3,4-diol derivatives were prepared from D-(-)- and L(+)-phenylglycinol and tested for their ability to inhibit 25 commercial glycosidases. The influence of the substitution of the lateral side chain and of the pyrrolidine ring on the enzyme ...
