Molecular dynamics simulations have emerged as an indispensable tool in modern biomedical research, particularly in the study of protein kinases. This computational approach permits detailed ...
Configurational entropy quantifies the number of accessible molecular arrangements within a system and is a critical parameter in understanding thermodynamic properties, binding affinities and ...
A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...
In the pharmaceutical discovery process, understanding a drug’s residence time—the duration a molecule remains bound to its ...
CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...
An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...
(Nanowerk News) Hybrid nanostructures between biomolecules and inorganic nanomaterials constitute a largely unexplored field of research, with the potential for novel applications in bioimaging, ...
Dynamin assembles into a ring around the neck of a forming vesicle and utilizes GTP hydrolysis energy to constrict and sever the membrane. The simulation reveals that the dynamin ring expands (loosens ...
A novel protein cage system can control and visualize orientational changes in aromatic side chains upon ligand binding. By inducing coordinated molecular changes, this approach enables precise ...
At the recent ELRIG Drug Discovery conference, Technology Networks<i/> spoke with Dr. Kundan Sharma to learn more about how cell-free expression platforms are transforming membrane protein research.
A research team has developed a next-generation anti-inflammatory protein using AI and supercomputing. The team, led by ...
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