Carl Caleman

TL;DR: A benchmark for force fields is devised in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant.

TL;DR: In this article, the effects of local damage in serial femtosecond crystallography (SFX), Clostridium ferredoxin was used as a model system, and the electron density maps calculated from high-dose SFX and synchrotron data showed peaks at the iron positions of the clusters, indicative of decrease of atomic scattering factors due to ionization.

TL;DR: X-ray diffraction data recorded from microcrystals of the Blastochloris viridis photosynthetic reaction centre is presented and its serial femtosecond crystallography structure is determined.

TL;DR: In this article, the authors showed that the threshold for surface-damage is on the order of the fluence required for thermal melting for larger fluences, suggesting that the craters are formed by two-phase vaporization.

TL;DR: Simulation results for lipid- and detergent-aggregates and lipid-coated (membrane) proteins in the gas phase are discussed, which point to the conclusion that encapsulating proteins in "something" aids in the conservation of native-like structure.