IR Spectroscopy: From Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning [0.03%]
红外光谱学：通过模拟和机器学习的整合实现从实验光谱到高分辨率结构分析的发展
Marvin Scherlo,Dominic Phillips,Ricarda Künne et al.
Marvin Scherlo et al.
Understanding biomolecular function at the atomic scale requires detailed insight into the structural changes underlying dynamic processes. Vibrational infrared (IR) spectroscopy─when paired with biomolecular simulations and quantum-chemic...
Xiaozhe Xu,Fan Zhou,Liangzhen Zheng et al.
Xiaozhe Xu et al.
The accuracy of the MM/PBSA binding free energy calculation depends on both the employed force field and the statistical quality of sampling. However, the impact of sampling sufficiency has often been underestimated in previous studies. Her...
An Unconventional Fusion Mechanism at the Origin of Eukaryotic Membranes [0.03%]
关于真核生物膜起源的一种非传统融合机制
Maria L Mascotti,Luis S Mayorga,Diego Masone
Maria L Mascotti
Eukaryogenesis remains one of biology's most intriguing transitions, yet the events driving the emergence of the eukaryotic cell membrane have not been sufficiently explored. Canonical membrane fusion models are not appropriate to explain t...
Thermophysical and Dynamics Perspective of Ions and Microstructures in Binary Salt K-Ion Battery Electrolytes [0.03%]
二元盐K离子电池电解质中离子和微结构的热物理及动力学研究视角
Ritesh G Nayak,Bhabani S Mallik
Ritesh G Nayak
Potassium-ion batteries have gained much attention as alternatives to lithium-ion batteries. As electrolytes play an essential part in a battery's performance, we used classical molecular dynamics to understand the solvation structures and ...
Correction to "Investigating Liposome Membrane Properties: Insights from Langmuir Monolayer Studies in the Corona Protein Environment" [0.03%]
“脂质体膜性质的研究：冠状蛋白质环境中的Langmuir单分子层研究见解”一文中错误的更正
Michalina Zaborowska-Mazurkiewicz,Natalia Kraśkiewicz,Piotr Sekuła et al.
Michalina Zaborowska-Mazurkiewicz et al.
Published Erratum
The journal of physical chemistry. B. 2025 Oct 28. DOI:10.1021/acs.jpcb.5c06953 2025
Time-Resolved Fluorescence Detection of Nicked DNA via Site-Specific Stacking of Sulfo-Cy3: The Role of Charge, Polarity, Linker, and Sequence Context [0.03%]
基于硫代Cy3特异性堆积的链内单核苷酸缺口时间分辨荧光检测：电荷、介电常数、连接臂和序列背景的影响
Raul Berrocal-Martin,Henry G Sansom,Katalin Orosz et al.
Raul Berrocal-Martin et al.
Nicked DNA can result from damage or cellular processing and is also prevalent in DNA nanostructures, so sensitive methods to probe the generation and location of nicks are desirable. It was found recently that sulfo-Cy3 (sCy3), a disulfona...
James L Martin Robinson,Neshat Moslehi,Nikolaos Dramountanis et al.
James L Martin Robinson et al.
In biology, ligand-mediated transitions (LMT), where the binding of a molecular ligand onto the binding site of a receptor molecule leads to a well-defined change in the conformation of the receptor, are often referred to as "the second sec...
Effect of Point Mutations on the Aggregation Tendency of the Antimicrobial Fragment Peptide hLL-3717-29 [0.03%]
单点突变对人抗菌肽hLL-37(17-29)聚集倾向的影响研究
Aritra Mitra,Sandip Paul
Aritra Mitra
The aggregation of host defense peptides is directly linked to their membranolytic properties. A well-known example is the hLL-3717-29 peptide, where aggregation induces cell lysis. Mutations at the Ile24 position reduce antimicrobial poten...
Contrasting Effects of Molecular Crowding on Trinucleotide-Repeat DNA Hairpins [0.03%]
分子拥挤对三核苷酸重复DNA发夹的影响
Deema Martini,Jackson Anderson,Gilberto Garcia et al.
Deema Martini et al.
Trinucleotide-repeat motifs are associated with numerous disorders, and genetic instability arising from these repeat motifs may be related to their propensity to form nonhelical structures. Genetic processing and organization of repeat-con...
A Comparative Study of Virucidal and Virustatic Multivalent Entry Inhibitors [0.03%]
多价进入抑制剂的抗病毒和抑病毒作用的比较研究
Hien Thi Tran,Sujeet Pawar,Yong Zhu et al.
Hien Thi Tran et al.
Viral infections, such as those caused by herpes simplex viruses (HSV) and influenza, continue to pose a significant global health challenge. We have focused on the development of multivalent entry inhibitors (MEIs) that have an irreversibl...