News

How a propolis compound with health benefits interacts with cell membranes: Study reveals nymphaeol A in action
A new study by Professor José Villalaín, Chair of Biochemistry and Molecular Biology at the Miguel Hernández University of ...
American Institute of Physics2d
Untangling cause and correlation in molecular simulations
Del Tatto et al. developed a framework for determining causal links in molecular simulations. The framework uses two ...
Simulations show why grains in metals and ceramics grow the way they do
A team of international scientists headed by Prof. Marco Salvalaglio from TUD–Dresden University of Technology has found out ...
EMBO Press5d
From microbes to molecules: unveiling host-microbe interactions with spatial metabolomics
Spatial metabolomics is transforming our understanding of microbial systems by uncovering the localized molecular dynamics ...
Beyond the crystal: Dynamic model captures loop flexibility in swine virus drug design
Porcine reproductive and respiratory syndrome virus (PRRSV) continues to devastate the global swine industry, yet the ...
C&EN2d
Water Networks in Photosystem II Using Crystalline Molecular Dynamics Simulations and Room-Temperature XFEL Serial Crystallography
Structural dynamics of water and its hydrogen-bonding networks play an important role in enzyme function via the transport of protons, ions, and substrates. To gain insights into these mechanisms in ...
Frontiers1d
Integrating Bioinformatics and AI to Unravel Multi-Organ Dynamics and Therapeutic Avenues in Renal Diseases
Renal diseases such as chronic kidney disease, acute kidney injury, and renal cancers pose critical challenges on a global scale. These illnesses often ...
C&EN6d
Molecular Dynamics Simulations of Octyl Glucoside Micelles: Dynamic Properties
Dynamic properties of octyl glucoside (OG) micelles were explored using molecular dynamics simulations. Systems studied included individual β-OG micelles containing 10, 20, 27, 34, 50, and 75 lipids; ...