Results 51 to 60 of about 17,712,238 (346)

Conserved structural motifs in PAS, LOV, and CRY proteins regulate circadian rhythms and are therapeutic targets

FEBS Letters, EarlyView.
Cryptochrome and PAS/LOV proteins play intricate roles in circadian clocks where they act as both sensors and mediators of protein–protein interactions. Their ubiquitous presence in signaling networks has positioned them as targets for small‐molecule therapeutics. This review provides a structural introduction to these protein families.
Eric D. Brinckman, Anna E. Lester, Brian D. Zoltowski   +2 more
wiley   +1 more source

High-throughput computational stacking reveals emergent properties in natural van der Waals bilayers

Nature Communications
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties.
Sahar Pakdel, Asbjørn Rasmussen, Alireza Taghizadeh, Mads Kruse, Thomas Olsen, Kristian S. Thygesen   +5 more
doaj   +1 more source

Ensemble-Based AI Learning Algorithm to Predict Drag Force for Particle Clusters

IEEE Access
In this work, we propose a novel approach that uses an ensemble of deep neural networks (DNN) and convolutional neural networks (CNN) to predict the drag coefficient of small, irregular-shaped particles in low-Reynolds-number flows.
Andreas Mark, Benjamin Elm Jonsson, Niclas Persson   +2 more
doaj   +1 more source

Expanding the space of protein geometries by computational design of de novo fold families

Science, 2020
Exploring the design landscape Protein design typically selects a protein topology and then identifies the geometries (secondary-structure lengths and orientations) that give the most stable structures.
Xingjie Pan, M. Thompson, Yang Zhang, Lin Liu, J. Fraser, M. Kelly, T. Kortemme   +6 more
semanticscholar   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source

Tailoring Escherichia coli Chemotactic Sensing towards Cadmium by Computational Redesign of Ribose-Binding Protein

mSystems, 2022
Periplasmic binding proteins such as ribose-binding proteins (RBPs) are involved in the bacterial chemotaxis two-component system. RBP selectively identifies and interacts with ribose to induce a conformational change that leads to chemotaxis.
Hengyi Li, Changsheng Zhang, Xi Chen, Hantian You, Luhua Lai   +4 more
doaj   +1 more source

Computational design synthesis of additive manufactured multi-flow nozzles

, 2020
Additive manufacturing (AM) enables highly complex-shaped and functionally optimized parts. To leverage this potential the creation of part designs is necessary.
M. Biedermann, M. Meboldt
semanticscholar   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Computational issues in fault detection filter design [PDF]

, 2002
We discuss computational issues encountered in the design of residual generators for dynamic inversion based fault detection filters. The two main computational problems in determining a proper and stable residual generator are the computation of an ...
Varga, Andras
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