Model-driven triboelectric sensors for multidimensional tactile perception
Tactile perception, as a key sensory function for environment awareness, has been the
subject of extensive scientific research and technological application, producing artificial …
subject of extensive scientific research and technological application, producing artificial …
Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins
Post-translational modifications (PTMs) of proteins play a vital role in their function and
stability. These modifications influence protein folding, signaling, protein-protein …
stability. These modifications influence protein folding, signaling, protein-protein …
Modeling membrane geometries implicitly in Rosetta
Interactions between membrane proteins (MPs) and lipid bilayers are critical for many
cellular functions. In the Rosetta molecular modeling suite, the implicit membrane energy …
cellular functions. In the Rosetta molecular modeling suite, the implicit membrane energy …
Interpreting the molecular mechanisms of disease variants in human transmembrane proteins
JKS Tiemann, H Zschach, K Lindorff-Larsen, A Stein - Biophysical Journal, 2023 - cell.com
Next-generation sequencing of human genomes reveals millions of missense variants,
some of which may lead to loss of protein function and ultimately disease. Here, we …
some of which may lead to loss of protein function and ultimately disease. Here, we …
How is Big Data reshaping preclinical aging research?
The exponential scientific and technological progress during the past 30 years has favored
the comprehensive characterization of aging processes with their multivariate nature …
the comprehensive characterization of aging processes with their multivariate nature …
Implicit model to capture electrostatic features of membrane environment
Membrane protein structure prediction and design are challenging due to the complexity of
capturing the interactions in the lipid layer, such as those arising from electrostatics …
capturing the interactions in the lipid layer, such as those arising from electrostatics …
NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow's Drug Binding Sites in …
T Venianakis, A Primikyri, T Opatz, S Petry… - Molecules, 2023 - mdpi.com
Saturation transfer difference (STD), inter-ligand NOEs (INPHARMA NMR), and docking
calculations are reported for investigating specific binding sites of the high-affinity synthetic 7 …
calculations are reported for investigating specific binding sites of the high-affinity synthetic 7 …
Growing Glycans in Rosetta: Accurate de novo glycan modeling, density fitting, and rational sequon design
J Adolf-Bryfogle, JW Labonte, JC Kraft, M Shapovalov… - Biorxiv, 2021 - biorxiv.org
Carbohydrates and glycoproteins modulate key biological functions. Computational
approaches inform function to aid in carbohydrate structure prediction, structure …
approaches inform function to aid in carbohydrate structure prediction, structure …
MHCEpitopeEnergy, a flexible Rosetta-based biotherapeutic deimmunization platform
As non-“self” macromolecules, biotherapeutics can trigger an immune response that can
reduce drug efficacy, require patients to be taken off therapy, or even cause life-threatening …
reduce drug efficacy, require patients to be taken off therapy, or even cause life-threatening …
An updated tutorial on reproducible PyPI applications for advancing chemometrics and boosting learner motivation
Y Takefuji - Chemometrics and Intelligent Laboratory Systems, 2023 - Elsevier
Context Programming, particularly with the widely-used scripting language Python, is a
powerful tool for expressing ideas in science and technology. PyPI, or the Python Package …
powerful tool for expressing ideas in science and technology. PyPI, or the Python Package …