Results 171 to 180 of about 169,382 (267)

Molecular Dynamics (MD) Simulation of GPR87-LPA Binding: Therapeutic Implications for Targeted Cancer Treatment. [PDF]

Anticancer Agents Med Chem
Rani M, Sharma AK, Nischal A, Khattri S, Sahoo GC, Singh RK.   +5 more
europepmc   +1 more source

Multifunctional Thiolated Hyaluronic Acid‐graft‐PEDOT Dressing With Antifouling, On‐Demand Drug Delivery and Electrical Stimulation for Wound Healing

Advanced Healthcare Materials, EarlyView.
A multifunctional P(EDOT‐co‐EDOT‐g‐THA) dressing acts as a dynamic biointerface integrating antifouling capability, on‐demand drug delivery, and electrical stimulation. It achieves electrochemically triggered thiolated hyaluronic acid (THA) release while modulating cellular responses for wound healing application.
Jingwen Yang, Jiwon Hong, Anthony Phillips, Bicheng Zhu, Jenny Malmstrom, Devon T. Bryant, Alireza Akbarinejad, Lisa I. Pilkington, Jadranka Travas‐Sejdic   +8 more
wiley   +1 more source

Effect of physical properties of liquid phase by MD simulation on NaCl separation behavior during the phase transition of molten salt chloride slag. [PDF]

Sci Rep
Guo Y, Wen Y, Chen F, Zheng Y, Wang S, Yang L, Zhang M.   +6 more
europepmc   +1 more source

Plasmonic Enhancement of Fluorescence and Protein Dynamics in Living Mammalian Cells

Advanced Materials, EarlyView.
This study demonstrates plasmonic enhancement of the function of fluorescent voltage sensing proteins (genetically encoded voltage indicators, (GEVIs), QuasAr6) in live mammalian cells. Coupling to plasmonic nanoparticles does not just increase fluorescence, but influences the protein photocycle, creating a hybrid sensor with its response speed to ...
Marco Locarno, Qiangrui Dong, Marco Post, Xin Meng, Cristiano Glessi, Nynke Marije Hettema, Nidas Brandsma, Sebbe Blokhuizen, Alejandro Castañeda Garcia, Srividya Ganapathy, Thieme Schmidt, Lars van Roemburg, Bing Xu, Chun‐Ting Cho, Liedewij Laan, Miao‐Ping Chien, Daan Brinks   +16 more
wiley   +1 more source

Repurposing terfenadine and domperidone for inhibition of apoptotic gene association in colorectal cancer: A system pharmacology approach integrated with molecular docking, MD simulations, and post-MD simulation analysis. [PDF]

Bioinform Biol Insights
C P, S H, Kurmi SPC, Patra BR, Esther VA, Yadav CK, Biradar MS, Thapa S.   +7 more
europepmc   +1 more source

Stepwise On‐Surface Synthesis and Transformations of Two‐Dimensional Covalent Organic Frameworks by Controlled Thermal Stimuli

Advanced Materials, EarlyView.
The seminal transformation of a 2D‐COF (SURFCOF‐IMDEA1) into a 2D porous COF (SURFCOF‐IMDEA2) on Au(111) by a sequential C‐C coupling and ladderization triggered by thermal annealing steps at increasing temperatures is reported. Abstract The development of covalent organic frameworks (COFs) is currently a primary objective in materials science, taking ...
Ana Barragán, Elena Pérez‐Elvira, Diego J. Vicent, Marco Lozano, Diego Soler‐Polo, Koen Lauwaet, José M. Gallego, Rodolfo Miranda, José I. Urgel, Pavel Jelínek, Nazario Martín, David Écija   +11 more
wiley   +1 more source

MD simulations of METTL3/14

Chen, Shuang, Haider, Shozeb
openaire   +1 more source

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

Structural heterogeneity and dynamics in the apical stem loop of s2m from SARS-CoV-2 Delta by an integrative NMR spectroscopy and MD simulation approach. [PDF]

Nucleic Acids Res
Wirtz Martin MA, Makowski JA, Matzel T, Kensinger AH, Herr A, Richter C, Jonker HRA, Wacker A, Evanseck JD, Schwalbe H.   +9 more
europepmc   +1 more source

Transient Charging of Mixed Ionic‐Electronic Conductors by Anomalous Diffusion

Advanced Materials, EarlyView.
This article explores charge transport in mixed ionic‐electronic conductors (MIECs) through electrochemical impedance spectroscopy and transient current analysis. Focusing on PEDOT:PSS, WO3, and n‐doped PBDF, it uncovers the impact of anomalous diffusion via fractional modeling. The study reveals key correlations that deepen understanding and guide the
Heyi Zhang, Gonzalo Rivera‐Sierra, Shirin Siahjani‐Gultekin, Jenifer Rubio‐Magnieto, Anis Allagui, Ignacio Sanjuán, David Franco, Antonio Guerrero, Enrique H. Balaguera, Juan Bisquert   +9 more
wiley   +1 more source