Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS [0.03%]
细菌细胞色素导线OmcS中电子传导制度的研究
Luke Nambi Mohanam,Rafael Umeda,Lei Gu et al.
Luke Nambi Mohanam et al.
The anaerobic bacterium Geobacter sulfurreducens produces extracellular, electronically conductive cytochrome polymer wires that are conductive over micron length scales. Structure models from cryo-electron microscopy data show OmcS wires f...
Evaporation Kinetics and Vibrational Sum Frequency Generation Spectroscopy of Water Layers on Graphene and Graphene Oxide Surfaces [0.03%]
石墨烯和氧化石墨烯表面水层的蒸发动力学及振动和频生成光谱研究
Prashant Kumar Pandey,Subhajit Dan,Amalendu Chandra
Prashant Kumar Pandey
Graphene and graphene oxide (GO) sheets have different surface characters with respect to their hydration properties, hence can influence the kinetics of evaporation of thin water layers on them in a different manner. In the current study, ...
Membrane Selectivity of Star-Shaped Peptides: A Comparative Molecular Dynamics Study across Different Bacterial and Mammalian Bilayers [0.03%]
臂肽穿膜选择性的比较分子动力学研究：不同细菌和哺乳动物双层膜之间的研究
Amal Jayawardena,Andrew Hung,Greg Qiao et al.
Amal Jayawardena et al.
Star-shaped peptides a.k.a. structurally nanoengineered antimicrobial peptide polymers (SNAPPs) are emerging as promising selective agents against bacterial membranes. In this study, we used all-atom molecular dynamics simulation techniques...
Sequence-Specific Protein Secondary-Structure Assignment with Isotope Reverse-Labeled Amide I Spectroscopy [0.03%]
同位素反标记酰胺I光谱法进行序列特异性蛋白质二级结构指派
Jacob H Wat,Tristen West,Nicolas J Pizzala et al.
Jacob H Wat et al.
The dramatic advances made recently by protein-structure prediction tools like AlphaFold offer an opportunity for the development of new experimental methods designed to test sequence-based predictions rather than build full atomistic struc...
Pierre J Walker,Zhen-Gang Wang
Pierre J Walker
Polymer-ionic liquid (IL) mixtures are promising materials for applications ranging from battery electrolytes and gas separation membranes to responsive actuators and sensors, owing to their unique combination of mechanical robustness and i...
Exploring Water Beyond the Solvent: Insights into Density Fluctuations and EGFP Unfolding via Luminescence Thermometry [0.03%]
超越溶剂的水：通过发光测温法洞察密度波动和EGFP展平现象
Yongwei Guo,Fernando E Maturi,Ramon S Raposo Filho et al.
Yongwei Guo et al.
Water plays an active role in protein stability, but directly probing its density fluctuations at the protein interface remains challenging. Here, we use enhanced green fluorescent protein (EGFP) to investigate how low-density (LD) and high...
Water-Mediated Stability of Ionic Liquids Confined in Aqueous Droplets: Molecular Dynamics Insights with Atmospheric Parallels [0.03%]
受限于水滴中的离子液体的水分介导稳定性：具有大气平行性的分子动力学见解
Tertius Lima Fonseca,Guilherme Colherinhas
Tertius Lima Fonseca
This study investigates the structural and volumetric effects of protic ([cho][gly]) and aprotic ([emim][BF4]) ionic liquids (ILs) on confined aqueous bubbles via molecular dynamics simulations. Pure water bubbles exhibit near-spherical sym...
Structural and Dynamical Characterization of Aqueous Hexahydrate Aluminum Nitrate Electrolyte Solution [0.03%]
六水合硝酸铝水溶液电解质的结构和动力学特征研究
Sarmistha Sarkar,Vishnu Priya H Radhakantha,Titas Kumar Mukhopadhyay et al.
Sarmistha Sarkar et al.
An ever-increasing demand for nontoxic, high-performance electric batteries has motivated the exploration of novel aqueous electrolyte systems. One such system, hexahydrate aluminum nitrate [Al(H2O)6](NO3)3 solvated in water, is being inves...
Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment [0.03%]
完整的细菌微 compart 的分子建模和分子动力学模拟
Saad Raza,Neetu Singh Yadav,Alexander Jussupow et al.
Saad Raza et al.
Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria which encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins and are pac...
Functional Modulation of Peptide Structural Interaction Fingerprints upon Stereochemical Diversification [0.03%]
基于立体化学多样化的肽结构相互作用指纹的调控功能
Yvonne Christian,Naveen Kumar,Vibin Ramakrishnan
Yvonne Christian
The total conformational search space of an l-amino acid in a polypeptide chain is limited to 21% with structural variation including helices, sheets, turns, and random coils. The conformational search space of a polypeptide will expand to ...