Molecular surfaces are the key players in biomolecular recognition and interactions. Nowadays, it is trivial to visualize a molecular surface and surface-distributed properties in three-dimensional space. However, such a representation trends to be biased and ambiguous in case of thorough analysis. We present a new method to create 2D spherical projection maps of entire protein surfaces and manipulate with them--protein surface topography (PST). It permits visualization and thoughtful analysis of surface properties. PST helps to easily portray conformational transitions, analyze proteins' properties and their dynamic behavior, improve docking performance, and reveal common patterns and dissimilarities in molecular surfaces of related bioactive peptides. This paper describes basic usage of PST with an example of small G-proteins conformational transitions, mapping of caspase-1 intersubunit interface, and intrinsic "complementarity" in the conotoxin-acetylcholine binding protein complex. We suggest that PST is a beneficial approach for structure-function studies of bioactive peptides and small proteins.
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http://dx.doi.org/10.1021/ci500158y | DOI Listing |
Proc Natl Acad Sci U S A
January 2025
Department of Earth Sciences, University of Oregon, Eugene, OR 97403.
Volcanic provinces are among the most active but least well understood landscapes on Earth. Here, we show that the central Cascade arc, USA, exhibits systematic spatial covariation of topography and hydrology that are linked to aging volcanic bedrock, suggesting systematic controls on landscape evolution. At the Cascade crest, a locus of Quaternary volcanism, water circulates deeply through the upper [Formula: see text]1 km of crust but transitions to shallow and dominantly horizontal flow as rocks age away from the arc front.
View Article and Find Full Text PDFClin Exp Optom
January 2025
Department of Ophthalmology, Adana City Training and Research Hospital, Adana, Turkey.
Clinical Relevance: Horizontal rectus muscle surgeries may cause changes in corneal and anterior segment parameters. Corneal topography is an important device for identifying these alterations.
Background: The aim of this work is to evaluate the effects of horizontal rectus muscle surgeries on corneal topography, anterior chamber parameters and corneal wavefront aberrations.
J Fr Ophtalmol
January 2025
Department of Ophthalmology, Cochin Hospital, Université Paris-Cité, Assistance Publique-Hôpitaux de Paris, Paris, France; Inserm, Centre de Recherche des Cordeliers, Unit 1138 team 17, Paris, France.
Objective: To compare the corneal topographic parameters and ocular surface parameters of ocular rosacea (OR) patients across skin subtypes of the disease and healthy controls.
Methods: This prospective study included 180 eyes of 90 OR patients and 60 eyes of 30 healthy controls. Among the OR patients, 30 had phymatous (60 eyes), 30 had erythematotelangiectatic (60 eyes) and 30 had papulopustular skin types (60 eyes).
J Clin Med
January 2025
Department of Biomedical Engineering, University of Alberta, Edmonton, AB T6G 2G8, Canada.
: Idiopathic scoliosis (IS) is a common spinal deformity affecting 0.5% to 5.2% of children worldwide, with a higher reported range in Spain (0.
View Article and Find Full Text PDFSensors (Basel)
January 2025
Departamento de Geografía, Facultad de Ciencias, Universidad de la República, Montevideo 4225, Uruguay.
Recent advancements in Earth Observation sensors, improved accessibility to imagery and the development of corresponding processing tools have significantly empowered researchers to extract insights from Multisource Remote Sensing. This study aims to use these technologies for mapping summer and winter Land Use/Land Cover features in Cuenca de la Laguna Merín, Uruguay, while comparing the performance of Random Forests, Support Vector Machines, and Gradient-Boosting Tree classifiers. The materials include Sentinel-2, Sentinel-1 and Shuttle Radar Topography Mission imagery, Google Earth Engine, training and validation datasets and quoted classifiers.
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