An efficient computational approach is developed to quantify the free energy of a spontaneous association of the α-helices of proteins in the membrane environment. The approach is based on the numerical decomposition of the free energy profiles of the transmembrane (TM) helices into components corresponding to protein-protein, protein-lipid, and protein-water interactions. The method was tested for the TM segments of human glycophorin A (GpA) and two mutant forms, Gly83Ala and Thr87Val. It was shown that lipids make a significant negative contribution to the free energy of dimerization, while amino acid residues forming the interface of the helix-helix contact may be unfavorable in terms of free energy. The detailed balance between different energy contributions is highly dependent on the amino acid sequence of the TM protein segment. The results show the dominant role of the environment in the interaction of membrane proteins that is changing our notion of the driving force behind the spontaneous association of TM α-helices. Adequate estimation of the contribution of the water-lipid environment thus becomes an extremely urgent task for a rational design of new molecules targeting bitopic membrane proteins, including receptor tyrosine kinases.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4717257 | PMC |
Publication Analysis
Top Keywords
Similar Publications
Aerosol CVD Carbon Nanotube Thin Films: From Synthesis to Advanced Applications: A Comprehensive Review.
Adv Mater
January 2025
Department of Nano Engineering, Department of Nano Science and Technology, Sungkyunkwan University Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University (SKKU), Seobu-ro 2066, Jangan-gu, Suwon, 16419, Republic of Korea.
Carbon nanotubes (CNTs) produced by the floating-catalyst chemical vapor deposition (FCCVD) method are among the most promising nanomaterials of today, attracting interest from both academic and industrial sectors. These CNTs exhibit exceptional electrical conductivity, optical properties, and mechanical resilience due to their binder-free and low-defect structure, while the FCCVD method enables their continuous and scalable synthesis. Among the methodological FCCVD variations, aerosol CVD' is distinguished by its production of freestanding thin films comprising macroscale CNT networks, which exhibit superior performance and practical applicability.
View Article and Find Full Text PDFInduction of Nanoscale Magnetic Ordering in Non-Ferrous Layered Double Hydroxides: Stabilizing Spintronic Electrocatalysis.
Small
January 2025
School of Energy Science and Engineering, Indian Institute of Technology Kharagpur, Kharagpur, 721302, India.
Inducing magnetic ordering in a non-ferrous layered double hydroxides (LDHs) instigates higher spin polarization, which leads to enhanced efficiency during oxygen evolution reaction (OER). In nano-sized magnetic materials, the concept of elongated grains drives domain alignment under the application of an external magnetic field. Hence, near the solid electrode interface, modified magnetohydrodynamics (MHD) positively impacts the electrocatalytic ability of non-ferrous nanocatalysts.
View Article and Find Full Text PDFStress Release of Zincophilic N-Doped Carbon@Sn Composite on High-Curvature Surface of Zinc Foam for Dendrite-Free 3D Zinc Anode.
Small Methods
January 2025
Research Institute of Frontier Science, Southwest Jiaotong University, Chengdu, 610031, P. R. China.
Commercial 3D zinc foam anodes with high deposition space and ion permeation have shown great potential in aqueous ion batteries. However, the local accumulated stress from its high-curvature surface exacerbates the Zn dendrite issue, leading to poor reversibility. Herein, we have employed zincophilic N-doped carbon@Sn composites (N-C@Sn) as nano-fillings to effectively release the local stress of high curvature surface of 3D Zn foams toward dendrite-free anode in aqueous zinc ion battery (AZIB).
View Article and Find Full Text PDFBinding Kinetics of Self-Assembled Monolayers of Fluorinated Phosphate Ester on Metal Oxides for Underwater Aerophilicity.
Langmuir
January 2025
Department of Physics, Chair of Biophysics, Friedrich-Alexander-Universität Erlangen-Nürnberg, Henkestrasse 91, Erlangen 92054, Germany.
The term "aerophilic surface" is used to describe superhydrophobic surfaces in the Cassie-Baxter wetting state that can trap air underwater. To create aerophilic surfaces, it is essential to achieve a synergy between a low surface energy coating and substrate surface roughness. While a variety of techniques have been established to create surface roughness, the development of rapid, scalable, low-cost, waste-free, efficient, and substrate-geometry-independent processes for depositing low surface energy coatings remains a challenge.
View Article and Find Full Text PDFCombined Experimental and Theoretical Approach to the Electronic and Magnetic Properties of Cu-Doped LaMnO Perovskites.
J Phys Chem C Nanomater Interfaces
January 2025
Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck,Innrain 80-82, 6020 Innsbruck, Austria.
Cu-doped LaCu Mn O perovskites have been used as a model system for a joint experimental and theoretical assessment of the influence of the Cu doping level on the structural, electronic, and magnetic properties. The different Cu-doped phases LaCuMnO (LCM37), LaCuMnO (LCM55), and LaCuMnO (LCM73) including the respective Cu- and Mn-free benchmark materials LaCuO (LC) and LaMnO (LM) have been studied by magnetization measurements and electronic paramagnetic resonance. Ferromagnetic behavior was detected for pure LM and all Cu-doped perovskites, whereas antiferromagnetic behavior was revealed for LaCuO.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!