Results 211 to 220 of about 8,716,920 (283)

Differentiation of RNA-protein docking structures through molecular dynamics simulation and machine learning methods. [PDF]

Brief Bioinform
Thanh BT, Kurumida Y, Kobayashi K, Hamada M, Kameda T.   +4 more
europepmc   +1 more source

Architecture‐Driven Functional Coupling in Vertically Aligned Nanocomposites

Advanced Functional Materials, EarlyView.
Vertically aligned nanocomposites define a growth‐engineered architecture in which vertical interfaces, strain fields, defect pathways, and phase connectivity are created simultaneously. This review shows how these architectural features couple ferroic, optical, ionic, electrochemical, and device responses, establishing design rules and open challenges
Md Shatil Islam‐Shanto, Javier Zamudio‐García, Abraham Sánchez‐Caballero, David Marrero‐López, Vincenzo Esposito   +4 more
wiley   +1 more source

Molecular Dynamics Simulation of Silicone Oil: Degradation upon Oscillatory Testing. [PDF]

Polymers (Basel)
Puhlmann P, Zahn D.
europepmc   +1 more source

Desert Plant Inspired Hierarchical Nanofibrous Membranes for Integrated Solar Desalination and Heavy Metal Remediation

Advanced Functional Materials, EarlyView.
An Alhagi maurorum inspired hierarchical composite membrane (NFCu) was developed by integrating heavy metal remediation and solar‐driven interfacial evaporation in a single platform. Beyond the photothermal effect, a localized photocatalytic process is realized on the CuO surface, deepening the mechanistic understanding of light–matter–water ...
Yuqiong He, Ronggang Luo, Shengbo Ge, Kaixin Jiang, Kirsten Dyer, Xiaojian Zhou, Ben Bin Xu, Xuehua Zhang, Guanben Du, Kaimeng Xu   +9 more
wiley   +1 more source

Demulsification of Fluids Produced from Polymer Flooding in Oilfields: A Molecular Dynamics Simulation Study. [PDF]

Materials (Basel)
Huang Q, Shen Z, Xie Y, Mu L, Long X, Meng J, Zhang X, Wang R.   +7 more
europepmc   +1 more source

Stereometric Molecular Engineering for Ultra‐Stable Aqueous Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
Stereochemical configuration of molecular additives greatly influences interfacial adsorption at the Zn surface. The optimal tilted dual‐anchored adsorption geometry of myo‐inositol constructs a water‐deficient interface and regulates the solvation structure.
Cunxin Liu, Peng Yang, Mohamed H. Helal, Jiang Zhou, Eero Kontturi   +4 more
wiley   +1 more source

Pharmacokinetics, molecular docking, and molecular dynamics simulation unveil novel lichen-derived scaffolds targeting PBP2a MRSA. [PDF]

Front Bioinform
Priya A, Venkatesh N, Rao A, Singh H, Hooda S, Devrani L, Raina D, Selva G, Swami S.   +8 more
europepmc   +1 more source

Forward‐Biased Perovskite Photodiodes for In‐Sensor Optical Change Sensing

Advanced Functional Materials, EarlyView.
A forward‐biased perovskite photodiode is introduced as an in‐sensor analog preprocessing unit that uses current balancing between photocurrent and injection current to generate optical changes relative to programmable optical reference levels. The device directly converts reference‐relative optical changes into bipolar current signals, enabling sensor‐
Eungseon Yeon, Je‐Jun Lee, Somin Yun, Sangin Hahn, Chanhyeok Kim, Jinsoo Park, Jung Pyo Hong, Seong‐Jun Han, Jung Woo Kim, Jeong Hwan Lee, Subin Jeon, Youngmin Kim, Gunuk Wang, Hanul Min, Do Kyung Hwang   +14 more
wiley   +1 more source

Fraxetin Inhibits UGT1A1 and UGT1A9 Activities In Vitro: Inhibition Kinetics, Molecular Dynamics Simulation, and Prediction of Herb-Drug Interaction Risk. [PDF]

Pharmaceuticals (Basel)
Chen J, Han H, Li J, Xu S, Li X, Zhao Z.
europepmc   +1 more source