OptZyme is a new computational procedure for designing improved enzymatic activity (i.e., kcat or kcat/KM) with a novel substrate. The key concept is to use transition state analogue compounds, which are known for many reactions, as proxies for the typically unknown transition state structures. Mutations that minimize the interaction energy of the enzyme with its transition state analogue, rath...

We complete previous investigations on the thermodynamics of self-gravitating systems by studying the grand canonical, grand microcanonical and isobaric ensembles. We also discuss the stability of polytropic spheres in connexion with a generalized thermodynamical approach proposed by Tsallis. We determine in each case the onset of gravitational instability by analytical methods and graphical co...

Let F be a number field, and (ρ, V ) a continuous, n-dimensional representation of the absolute Galois group Gal(F/F ) on a finite-dimensional C-vector space V . Denote by L(s, ρ) the associated L-function, which is known to be meromorphic with a functional equation. Artin’s conjecture predicts that L(s, ρ) is holomorphic everywhere except possibly at s = 1, where its order of pole is the multi...

The 28 Si(p,p ′ γ 0 X) 24 Mg reaction has been studied at the ITEP accelerator by the hadron-gamma coincidence method for a proton energy of 1 GeV. Two reaction products are detected: a 1368.6-keV γ-ray photon accompanying the transition of the 24 Mg * nucleus from the first excited state to the ground state and a proton p ′ whose momentum is measured in a magnetic spectrometer. The measured di...

We present new non-LTE modelling of the helium spectrum emitted by quiescent solar prominences. The calculations are made in the frame of a one-dimensional plane-parallel slab. The physical parameters of our models are the electron temperature, the gas pressure, the slab width, the microturbulent velocity and the height above the solar surface. In this paper, we present isothermal isobaric mode...

Deamination at C6 of adenosine in RNA catalyzed by the ADAR enzymes generates inosine at the corresponding position. Because inosine is decoded as guanosine during translation, this modification can lead to codon changes in messenger RNA. Hydration of 8-azanebularine across the C6-N1 double bond generates an excellent mimic of the transition state proposed for the hydrolytic deamination reactio...