Results 141 to 150 of about 147,809 (300)

Identification and Characterization of an In Silico Designed Membrane‐Active Peptide with Antiviral Properties

Advanced Science, EarlyView.
An evolutionary molecular dynamics platform is used to design P1.6, a membrane‐active peptide that senses lipid packing defects in viral envelopes. P1.6 adopts a stabilized α‐helical structure upon membrane contact, disrupts virus‐like liposomes, and damages HIV‐1 particles.
Pascal von Maltitz, Niek van Hilten, Tatjana Weil, Thunchanok Thummaraj, Jeroen Methorst, Dennis Aschmann, Alexander Kros, Clarissa Read, Jasmina Gačanin, Herre Jelger Risselada, Jan Münch   +10 more
wiley   +1 more source

Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy. [PDF]

Molecules, 2021
Deshmukh MM, Gadre SR.
europepmc   +1 more source

Peptide Sequence Programmed Piezoelectric Response by Supramolecular Self‐Assembly

Advanced Science, EarlyView.
In this study, hydrophobic tripeptides are explored as building blocks for stable piezoelectric crystals. Tripeptides with phenylalanine at the central position self‐assembled into uniform, thermally stable crystals. Piezoresponse force microscopy reveals a high effective piezoelectric coefficient of 24.0 pC N−1, attributed to asymmetric molecular ...
Xuejiao Yang, Shuaijie Liu, Honglei Lu, Yuehui Wang, Hongyue Zhang, Wei Ji, Huaimin Wang   +6 more
wiley   +1 more source

UniMR: A Plug‐and‐Play Framework of Automated Molecular Recognition for Scanning Tunneling Microscopy

Advanced Science, EarlyView.
UniMR, a training‐free framework for automated molecular recognition in STM images. By integrating adaptive feature selection with CLIP embeddings and Gaussian Mixture Modeling, UniMR achieves robust performance across diverse molecular systems and low‐resolution conditions.
Ziqiang Cao, Lingyin Zhang, Bingzheng Wu, Haonan Chen, Junhao Sun, Linghao Yan, Wenfei Li, Yangyang Wu, Zhifang Wang, Qigang Zhong, Lifeng Chi   +10 more
wiley   +1 more source

Intramolecular Hydrogen-Bond Interactions Tune Reactivity in Biomimetic Bis(μ-hydroxo)dicobalt Complexes. [PDF]

Inorg Chem, 2021
DeLucia AA, Kelly KA, Herrera KA, Gray DL, Olshansky L.   +4 more
europepmc   +1 more source

All‐Hydrogel‐Based Organic Electrochemical Transistors for Implantable Physiological Signal Monitoring

Advanced Science, EarlyView.
All‐hydrogel based n‐type depletion‐mode OECTs is developed using a semiconductor hydrogel formed via ionic‐liquid‐mediated phase separation, combining efficient ion‐electron transport, tissue‐like softness, and long‐term biocompatibility. The device can monitor EOG and ECG on human skin and record real‐time ECG subcutaneously in rats, providing a ...
Qicheng Liang, Yue Wang, Ruizhe Wang, Wanfang Zhang, Runcheng Hao, Yueheng Zhong, Jingling Zhang, Xiang Li, Weichu Chen, Chunyu Fan, Yuwen Zhu, Yu Sun, Hong Jiang, Hengda Sun, Gang Wang   +14 more
wiley   +1 more source

An intramolecular hydrogen bond-promoted "green" Ugi cascade reaction for the synthesis of 2,5-diketopiperazines with anticancer activity. [PDF]

RSC Adv, 2022
Li J, Huang JH, Wang JY, Xu ZG, Chen ZZ, Lei J.   +5 more
europepmc   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

Advanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang, Wenkai Wang, Zhenling Peng, Jianyi Yang   +3 more
wiley   +1 more source

Polyzwitterionic Organohydrogel and Soft Composite with Tunable Sol–Gel Properties Enabling On‐Demand Functionalization with Colloids

Advanced Science, EarlyView.
Poly[2‐(methacryloyloxy)ethyl]dimethyl‐(3‐sulfopropyl)ammonium hydroxide‐based organohydrogels are formed via nonsolvent‐induced gelation, featuring tunable viscoelasticity. Functional fillers (MXene nanosheets, magnetic NdFeB microparticles) enable electrical, magnetic, and mechanical responsiveness for applications in mechano‐tunable electromagnetic ...
Ziyue Miao, Xiaodan Hong, Olli Ikkala, Zhong‐Peng Lv, Bo Peng   +4 more
wiley   +1 more source

Intramolecular Hydrogen Bonds. IX. Intramolecular Hydrogen Bonding in ω-Haloalkanols [PDF]

Bulletin of the Chemical Society of Japan, 1967
Nobuo Mori, Emiko Nakamura, Yojiro Tsuzuki   +2 more
openaire   +1 more source