MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography
MyD88 and MAL are Toll-like receptor (TLR) adaptors that signal to induce pro-inflammatory
cytokine production. We previously observed that the TIR domain of MAL (MALTIR) forms …
cytokine production. We previously observed that the TIR domain of MAL (MALTIR) forms …
Crystallization of Flexible Chains of Tangent Hard Spheres under Full Confinement
PM Ramos, M Herranz… - The Journal of …, 2022 - ACS Publications
We present results from extensive Monte Carlo simulations on the crystallization of athermal
polymers under full confinement. Polymers are represented as freely jointed chains of …
polymers under full confinement. Polymers are represented as freely jointed chains of …
Simu-D: A simulator-descriptor suite for polymer-based systems under extreme conditions
M Herranz, D Martínez-Fernández, PM Ramos… - International journal of …, 2021 - mdpi.com
We present Simu-D, a software suite for the simulation and successive identification of local
structures of atomistic systems, based on polymers, under extreme conditions, in the bulk, on …
structures of atomistic systems, based on polymers, under extreme conditions, in the bulk, on …
Identification of local structure in 2-d and 3-d atomic systems through crystallographic analysis
PM Ramos, M Herranz, K Foteinopoulou… - Crystals, 2020 - mdpi.com
In the present work, we revise and extend the Characteristic Crystallographic Element (CCE)
norm, an algorithm used to simultaneously detect radial and orientational similarity of …
norm, an algorithm used to simultaneously detect radial and orientational similarity of …
Automation of liquid crystal phase analysis for SAXS, including the rapid production of novel phase diagrams for SDS–water–PIL systems
Lyotropic liquid crystal phases (LCPs) are widely studied for diverse applications, including
protein crystallization and drug delivery. The structure and properties of LCPs vary widely …
protein crystallization and drug delivery. The structure and properties of LCPs vary widely …
Cross-correlation analysis of X-ray photon correlation spectroscopy to extract rotational diffusion coefficients
Z Hu, JJ Donatelli, JA Sethian - Proceedings of the National …, 2021 - National Acad Sciences
Coefficients for translational and rotational diffusion characterize the Brownian motion of
particles. Emerging X-ray photon correlation spectroscopy (XPCS) experiments probe a …
particles. Emerging X-ray photon correlation spectroscopy (XPCS) experiments probe a …
[HTML][HTML] Polarisation and rheology characterisation of monoolein/water liquid crystal dynamical behaviour during high-viscosity injector extrusion
C Darmanin, F Babayekhorasani, A Formosa… - Journal of Colloid and …, 2024 - Elsevier
Hypothesis The use of monoolein/water mixtures in serial crystallography experiments using
high-viscosity injectors (HVI) results in significant departures from equilibrium behaviour …
high-viscosity injectors (HVI) results in significant departures from equilibrium behaviour …
[HTML][HTML] Preferred orientation and its effects on intensity-correlation measurements
Intensity-correlation measurements allow access to nanostructural information on a range of
ordered and disordered materials beyond traditional paircorrelation methods. In real space …
ordered and disordered materials beyond traditional paircorrelation methods. In real space …
Theoretical Studies of Anisotropic Melting of Ice Induced by Ultrafast Nonthermal Heating
I Dawod, K Patra, S Cardoch… - ACS Physical …, 2024 - ACS Publications
Water and ice are routinely studied with X-rays to reveal their diverse structures and
anomalous properties. We employ a hybrid collisional-radiative/molecular-dynamics method …
anomalous properties. We employ a hybrid collisional-radiative/molecular-dynamics method …
[PDF][PDF] A phenomenological model of the X-ray pulse statistics of a high-repetition-rate X-ray free-electron laser
Many coherent imaging applications that utilize ultrafast X-ray free-electron laser (XFEL)
radiation pulses are highly sensitive to fluctuations in the shot-to-shot statistical properties of …
radiation pulses are highly sensitive to fluctuations in the shot-to-shot statistical properties of …