Results 101 to 110 of about 380,898 (297)
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
Contact Lens with Moiré Patterns for High‐Precision Eye Tracking
Advanced Functional Materials, EarlyView.This work presents a passive contact lens for high‐precision eye tracking, integrating a microscopic moiré grating label. The parallax‐induced shift of macroscopic moiré patterns enables angle measurement with 0.28° precision using a standard camera under ambient light.
Ilia M. Fradkin +11 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
Prediction by Nonparametric Posterior Estimation in Virtual Screening
, 2007 The ability to rank molecules according to their effectiveness in some domain, e.g. pesticide, drug, is important owing to the cost of synthesising and testing chemical compounds.
Pasupa, Kitsuchart
core
Multi-dimensional Virtual Values and Second-degree Price Discrimination [PDF]
, 2015 We consider a multi-dimensional screening problem of selling a product with multiple quality levels and design virtual value functions to derive conditions that imply optimality of only selling highest quality. A challenge of designing virtual values for
Haghpanah, Nima, Hartline, Jason
core
Link Mining for Kernel-based Compound-Protein Interaction Predictions Using a Chemogenomics Approach
, 2017 Virtual screening (VS) is widely used during computational drug discovery to reduce costs. Chemogenomics-based virtual screening (CGBVS) can be used to predict new compound-protein interactions (CPIs) from known CPI network data using several methods ...
A Lavecchia +15 more
core +1 more source
Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights
Advanced Functional Materials, EarlyView.The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley +1 more source
Advanced Functional Materials, EarlyView.This study shows that lizard osteoderm capping tissue is a hyper‐mineralized hydroxyapatite layer consistently covering the superficial osteoderm surface in those species studied here, yet it varies greatly in morphology, nanostructure, and mechanical performance across species.
Adrian Rodriguez‐Palomo +10 more
wiley +1 more source
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