8 papers · ranked by Valyu relevance
Laura Muñoz-Baena, Hugo G. Castelán-Sánchez, Sareh Bagherichimeh, Paula Magbor + 4 more
RNA viruses evolve rapidly to adapt to changing host environments. Much of this adaptation occurs at the level of protein-coding genes. Thus, some of the most well-characterized examples of rapid adaptation have been found in virus proteins that are exposed on the surface of the viral particle, where they mediate host…
Amirhossein Khalilian-Gourtani, Yasamin Esmaeili, Andrew J. Michalak, Adeen Flinker
Intracranial electrophysiological recordings, including electrocorticography (ECoG) and stereo-EEG (sEEG), are increasingly used across research programs to study human brain function due to their high spatiotemporal resolution. Numerous tools exist for electrode localization and visualization; however, most focus on…
Authors not listed
Compositionally complex materials, e.g. high-entropy alloys/oxides, have long been of research interest for their unique mechanical and functional properties thanks to the synergistic effects between the large number of components. More recently, they have emerged as a promising platform for the development of novel…
Ethan Xiao, Shuguang Zhang
Human aquaporins (AQPs) are essential membrane channels, yet their inherent hydrophobicity complicates structural and functional studies. We present the systematic application of the QTY code to human AQPs, integrating it with AlphaFold 3 structure prediction to design and validate that four-representative human AQPs…
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While oscillatory structural forces (solvation/depletion) are ubiquitous in colloidal systems, the mechanism by which they guide the precise self-assembly of complex particles remains elusive. Here, we reveal that the extreme sensitivity of these damped oscillatory forces to surface orientation stems from their…
Yahui Wei, Haiyan Wang, Yufan Wang, Lixin Chen + 9 more
Macaque brain MRI is central to translational and comparative neuroscience, yet multi-site, longitudinal, and cross-species analyses are hindered by a lack of unified, automated structural processing tools. Existing pipelines, mostly adapted from human neuroimaging or restricted to fragmented steps, fail to provide…
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Finding the most stable adsorption geometry of a flexible molecule on a catalytic surface remains a key challenge due to the high dimensionality and ruggedness of the potential energy surface. We present a Gradient-Enhanced Genetic Algorithm (GE-GA) for the global optimization of adsorbate–surface configurations…
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We present an open source collection of scripts and programs for the setup, management and evaluation of calculations with the Vienna ab-initio simulation package (VASP), called utils4VASP. It contains 20 independent Python scripts and Fortran programs, all with a unified and intuitive handling concept based on command…