Effect of formulation composition on trastuzumab stability.

For monoclonal antibody drug products as for other biologics, while the innovator drug products first becomes commercially available, they are often followed by one or more biosimilar products. These biosimilars often differ from the innovator product, as well as from each other, in their formulation composition. However, the impact of the formulation composition on the stability of the active pharmaceutical ingredient subjected to different 'stresses' is still not understood.

Comparative pericarp biomechanics and germination physiology of Raphanus raphanistrum and Raphanus pugioniformis indehicent fruits.

The biomechanical, morphological and ecophysiological properties of plant seed/fruit structures are adaptations that support survival in unpredictable environments. High phenotypic variability of noxious and invasive weed species such as Raphanus raphanistrum (wild radish) allow diversification into new environmental niches. Dry indehiscent fruits (thick and lignified pericarp [fruit coat] enclosing seeds) have evolved many times independently.

Galactic cosmic ray environment predictions for the NASA BioSentinel Mission, part 2:Post-mission validation.

The BioSentinel CubeSat was deployed on the Artemis-I mission in November 2022 and has been continuously transmitting physical measurements of the space radiation environment since that time. Just before mission launch, we published computational model predictions of the galactic cosmic ray exposure expected inside BioSentinel for multiple locations and configurations. The predictions utilized models for the ambient galactic cosmic ray environment, radiation physics and transport, and BioSentinel geometry.

Mapping conformational landscape in protein folding: Benchmarking dimensionality reduction and clustering techniques on the Trp-Cage mini-protein.

Quantitative characterization of protein conformational landscapes is a computationally challenging task due to their high dimensionality and inherent complexity. In this study, we systematically benchmark several widely used dimensionality reduction and clustering methods to analyze the conformational states of the Trp-Cage mini-protein, a model system with well-documented folding dynamics. Dimensionality reduction techniques, including Principal Component Analysis (PCA), Time-lagged Independent Component Analysis (TICA), and Variational Autoencoders (VAE), were employed to project the high-dimensional free energy landscape onto 2D spaces for visualization.

BaNDyT: Bayesian Network Modeling of Molecular Dynamics Trajectories.

Bayesian network modeling (BN modeling, or BNM) is an interpretable machine learning method for constructing probabilistic graphical models from the data. In recent years, it has been extensively applied to diverse types of biomedical data sets. Concurrently, our ability to perform long-time scale molecular dynamics (MD) simulations on proteins and other materials has increased exponentially.