Results 161 to 170 of about 326,621 (219)

Exploration of Natural Products for Targeting IDH1/2 Mutations in Acute Myeloid Leukemia Through Ligand-Based Pharmacophore Screening, Docking, ADME-T, and Molecular Dynamic Simulation Approaches. [PDF]

Bioinform Biol Insights
Das U, Regati DR, Kumar J, Sowdhamini R.
europepmc   +1 more source

Emergent Topological Magnons and Thermal Hall Effect in 2D Filling‐Enforced Fully Compensated Ferrimagnets

Advanced Functional Materials, EarlyView.
Schematic illustration of ferroelectric‐intercalation‐driven transitions in magnetic configurations and magnonic topological phases, together with the symmetry relations of magnonic Berry curvature. ABSTRACT Magnons in collinear magnets with vanishing net magnetization offer unique advantages for spin transport, including ultrafast dynamics and ...
Yingxi Bai, Bo Yuan, Zhenzhou Guo, Jian Zhang, Ying Dai, Baibiao Huang, Xiaotian Wang, Chengwang Niu, Gang Zhang   +8 more
wiley   +1 more source

Identification of potential inhibitors of the main protease from feline infectious peritonitis virus using molecular docking and dynamic simulation approaches. [PDF]

PeerJ
Khan MY, Shah AU, Duraisamy N, Moawad N, ElAlaoui RN, Cherkaoui M, Hemida MG.   +6 more
europepmc   +1 more source

Mechanical Behavior and Fracture Mechanisms of MXene/PVDF Nanocomponsites: In Situ Characterization and Multiscale Analysis

Advanced Functional Materials, EarlyView.
Multiscale experiments and modeling reveal how Ti3C2Tx MXene nanosheets reinforce PVDF nanocomposites. An optimal MXene loading (∼1 wt.%) nearly doubles tensile strength through efficient stress transfer, flake alignment, and crack‐deflection mechanisms, transforming ductile polymer behavior into a controlled multi‐stage fracture pathway which aligns ...
Bita Soltan Mohammadlou, James FitzPatrick, Li Meng, Kateryna Shevchuk, Ahmad Najafi, Yury Gogotsi   +5 more
wiley   +1 more source

The HER2 target for designing novel multi-peptide vaccine against breast cancer using immunoinformatics and molecular dynamic simulation. [PDF]

Biochem Biophys Rep
Firuzpour F, Barancheshmeh M, Ziarani FF, Karami L, Aram C.   +4 more
europepmc   +1 more source

Optoelectronic Synaptic Devices Using Molecular Telluride Phase‐Change Inks for Three‐Factor Learning

Advanced Functional Materials, EarlyView.
Optoelectronic synaptic devices based on solution‐processed molecular telluride GST‐225 phase‐change inks are demonstrated for three‐factor learning. A global optical signal broadcast through a silicon waveguide induces non‐volatile conductance updates exclusively in locally electrically flagged memristors.
Kevin Portner, Dhananjeya Kumaar, Giacomo Torti, Killian Keller, Till Zellweger, Florian M. Schenk, Christoph Weilenmann, Daniel Chelladurai, Vara Prasad Jonnalagadda, Ghazi Sarwat Syed, Vanessa Wood, Jürg Leuthold, Alexandros Emboras, Maksym Yarema, Mathieu Luisier   +14 more
wiley   +1 more source

Hyperthermophilic xylanase and thermophilicity analysis by molecular dynamic simulation with quantum mechanics. [PDF]

Appl Microbiol Biotechnol
Boonyapakron K, Keiser B, Prabmark K, Aiewviriyasakul K, Arunrattanamook N, Jaruwat A, Chitnumsub P, Li JY, Wong TS, Zhao XQ, Liu CG, Wei DQ, Champreda V.   +12 more
europepmc   +1 more source

Oxygen‐Tunnel Indium Tin Oxide Vertical Channel Transistors with Enhanced Current Density and Reliability for Monolithic 3D Compute‐In‐Memory Systems

Advanced Functional Materials, EarlyView.
Oxygen‐tunnel (OT) indium tin oxide (ITO) vertical channel transistors (VCTs) enable reliable, high‐density gain‐cell memory for monolithic 3D integration. A sandwiched SiN/SiO2/SiN OT stack selectively regulates oxygen transport, suppressing parasitic electrode oxidation while stabilizing channel oxygen vacancies, thereby suppressing carrier injection
Hyeonho Gu, Haksoon Jung, Yongwoo Lee, Hoichang Jeong, Yanfeng Zhao, Heesoo Yang, Minho Park, Hyeonjin Lee, Seunghun Baek, Minju Song, Junghwan Kim, Youngmin Jo, Hyunjin Park, Munhyeon Kim, Jae‐Joon Kim, Kyuho Jason Lee, Byungjo Kim, Jimin Kwon   +17 more
wiley   +1 more source

Modeling and performance evaluation of hybrid photovoltaic thermal, wind, and battery microgrids using optimization and dynamic simulation. [PDF]

Sci Rep
Jacob E, Farzaneh H.
europepmc   +1 more source

Receptor‐Free Identification of Toxic Gases Enabled by Hygroscopic Aqueous Salt Films

Advanced Functional Materials, EarlyView.
Water as a gas sensor coating sounds impossible—until it stops evaporating. Here, hygroscopic salt solutions (LiCl, LiBr, H3PO4) form non‐drying aqueous films on CNT chemiresistors under ambient air. Gases partition into these liquid layers, sometimes transforming into water, and generate salt‐specific resistance fingerprints across a four‐channel ...
Seongwoo Lee, Yun‐Tae Kim, Hwarang Choi, Sanghwan Park, Seongyeop Lim, Chang Young Lee   +5 more
wiley   +1 more source