Results 101 to 110 of about 394,778 (346)
A Topology Optimization Framework for the Inverse Design of Nonlinear Mechanical Metamaterials
Advanced Engineering Materials, EarlyView.This work uses topology optimization to design unit cells for mechanical metamaterials with a prescribed nonlinear stress–strain response. The framework adds contact and postbuckling modeling to synthesize microstructures for three highly nonlinear responses, including pseudoductile behavior, monostable with snap‐through buckling, and bistable ...
Charlie Aveline +2 more
wiley +1 more source
Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. [PDF]
, 2019 We introduce a new method for rapid computation of 3D molecular similarity that combines electrostatic field comparison with comparison of molecular surface-shape and directional hydrogen-bonding preferences (called "eSim").
Cleves, Ann E +2 more
core
An All‐Optical Driven Bio‐Photovoltaic Interface for Active Control of Live Cells
Advanced Functional Materials, EarlyView.Bio‐photovoltaic Interface (BIO‐PV‐I) for live cell manipulation is presented. BIO‐PV‐I can be activated non‐invasively and remotely to control the spatial motility, adhesion, and morphology of cells adhering to it. BIO‐PV‐I uses a patterned light‐induced electric potential in iron‐doped lithium niobate crystals whose light‐driven and reversible nature,
Lisa Miccio +8 more
wiley +1 more source
Química Nova, 2011 High-throughput screening (HTS) and virtual screening (VS) are useful methods employed in drug discovery, allowing the identification of promising hits for lead optimization.
Rafaela S Ferreira +2 more
doaj +1 more source
Virtual High-Throughput Ligand Screening [PDF]
, 2014 In Structural Genomics projects, virtual high-throughput ligand screening can be utilized to provide important functional details for newly determined protein structures. Using a variety of publicly available software tools, it is possible to computationally model, predict, and evaluate how different ligands interact with a given protein. At the Center
T Andrew, Binkowski +4 more
openaire +2 more sources
Imaging of Biphoton States: Fundamentals and Applications
Advanced Functional Materials, EarlyView.Quantum states of two photons exhibit a rich polarization and spatial structure, which provides a fundamental resource of strongly correlated and entangled states. This review analyzes the physics of these intriguing properties and explores the various techniques and technologies available to measure them, including the state of the art of their ...
Alessio D'Errico, Ebrahim Karimi
wiley +1 more source
Predicting Potential SARS-COV-2 Drugs—In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking [PDF]
, 2021 Nischal Karki +5 more
openalex +1 more source
Advanced Functional Materials, EarlyView.Automat optical inspection (AOI) techniques in semiconductor fabrication can be leveraged in battery manufacturing, enabling scalable detection and analysis of electrode‐ and cell‐level imperfections through AI‐driven analytics and a digital‐twin framework.
Jianyu Li, Ertao Hu, Wei Wei, Feifei Shi
wiley +1 more source
Searching for novel carbonic anhydrase inhibitors: from virtual screening to the lab bench [PDF]
, 2013 Carbonic Anhydrases (CAs) are zinc metalloenzymes that catalyze the reversible hydration of carbon dioxide to bicarbonate both in prokaryotes and eukaryotes.
Cadoni, Roberta +8 more
core
Parsimonious Kernel Fisher Discrimination
, 2007 By applying recent results in optimization transfer, a new algorithm for kernel Fisher Discriminant Analysis is provided that makes use of a non-smooth penalty on the coefficients to provide a parsimonious solution.
A. Leach +11 more
core +1 more source