Results 161 to 170 of about 23,957,674 (349)

Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling

Advanced Science, EarlyView.
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang, Linqiong Qiu, Hongyu Wang, Wenting Tang, Jiayang Leng, John Z. H. Zhang, Piero Procacci, Zhaoxi Sun   +7 more
wiley   +1 more source

Time dependent asymptotic analysis of the gene regulatory network of the AcrAB-TolC efflux pump system in gram-negative bacteria. [PDF]

J Math Biol, 2021
Youlden GH, Ricci V, Wang-Kan X, Piddock LJV, Jabbari S, King JR.   +5 more
europepmc   +1 more source

An Asymptotic Analysis of a 2-D Model of Dynamically Active Compartments Coupled by Bulk Diffusion [PDF]

, 2016
Jia Gou, Michael J. Ward
openalex   +1 more source

Label‐Free and Immobilization‐Free Protein‐Binding Assays by Ultraviolet Transient Absorption Microscopy

Advanced Science, EarlyView.
A femtosecond UV pump–probe microscope resolves binding‐induced changes in protein excited‐state dynamics and converts these intrinsic contrasts into an equilibrium affinity readout. By probing tryptophan responses directly in solution, the approach enables quantitative determination of dissociation constants without labeling or immobilization ...
Jianghao Shen, Qiangqiang Wang, Fan Wu, Yang Gao, Lu Lan, Pu Wang   +5 more
wiley   +1 more source

Asymptotic analysis of a nonlinear AIMD algorithm [PDF]

, 2005
Yuliy Baryshnikov, E. G. Coffman, Jun Feng, Petar Momčilović   +3 more
openalex   +1 more source

Scrambling‐Enhanced Quantum Battery Charging in Black Hole Analogues

Advanced Science, EarlyView.
By employing a black‐hole‐analog quantum battery constructed from a position‐dependent XY model, its dynamical behavior is investigated through a quench of the scrambling parameter. It is systematically quantified that how the simulated scrambling improves key performance metrics‐namely, stored energy, peak power, and charging time‐thereby offering a ...
Zhilong Liu, Ying Li, Zehua Tian, Jieci Wang   +3 more
wiley   +1 more source

Asymptotic analysis of a thin fluid layer flow between two moving surfaces

, 2021
José M. Rodríguez, R. Taboada-Vázquez
openalex   +1 more source

Asymptotic analysis for periodic structures

, 1979
A. Bensoussan, J. Lions, G. Papanicolaou
semanticscholar   +1 more source

Study of Resistive Switching Dynamics and Memory States Equilibria in Analog Filamentary Conductive‐Metal‐Oxide/HfOx ReRAM via Compact Modeling

Advanced Electronic Materials, EarlyView.
A physics‐based compact model for Conductive‐Metal‐Oxide/HfOx ReRAM, accounting for ion dynamics, electronic conduction, and thermal effects, is presented. Accurate and versatile simulations of analog non‐volatile conductance modulation and memory state stabilization enable reliable circuit‐level studies, advancing the optimization of neuromorphic and ...
Matteo Galetta, Donato Francesco Falcone, Victoria Clerico, Wooseok Choi, Stephan Menzel, Antonio La Porta, Tommaso Stecconi, Folkert Horst, Bert Jan Offrein, Valeria Bragaglia   +9 more
wiley   +1 more source

Decoding Interfacial Charge‐Carrier Dynamics in Integrated Perovskite/Organic Solar Cells via Numerical Modeling

Advanced Energy Materials, EarlyView.
A physical framework is developed based on drift‐diffusion simulations to elucidate the operation of integrated perovskite/organic solar cells (I‐POSCs) through the lens of interfacial charge‐carrier dynamics. A stepwise analysis establishes key links between carrier transport/recombination phenomena and device performance metrics, offering valuable ...
Jingjing Tian, Chao Liu, Karen Forberich, Rong Wang, Larry Lüer, Christoph J. Brabec   +5 more
wiley   +1 more source