Advanced Science, EarlyView.This study presents the de novo design and directed evolution of a mirror‐image D‐protein inhibitor targeting human interleukin‐4 (IL‐4). The engineered molecule exhibits nanomolar binding affinity for IL‐4 and effectively inhibits IL‐4–mediated signaling.
Liqing Xu +7 more
wiley +1 more source
In Silico Clinical Trials - Review
International Journal of Science and Research (IJSR), 2023 openaire +1 more source
Embedded CRISPRi Enhances Gene‐Silencing Efficiency in Drosophila
Advanced Science, EarlyView.Current CRISPR interference (CRISPRi) technology in Drosophila has limited efficiency. This study introduces the emCRISPRi platform, which significantly enhances transcriptional silencing efficacy by embedding inhibitory domains within the dCas9 architecture.
Pengchong Fu +7 more
wiley +1 more source
Fast and accurate prediction of drug induced proarrhythmic risk with sex specific cardiac emulators
npj Digital MedicineIn silico trials for drug safety assessment require many high-fidelity 3D cardiac simulations to predict drug-induced QT interval prolongation, which is often computationally prohibitive.
Paula Dominguez-Gomez +7 more
doaj +1 more source
Coupling one-dimensional arterial blood flow to three-dimensional tissue perfusion models for in silico trials of acute ischaemic stroke. [PDF]
Interface Focus, 2021 Padmos RM +5 more
europepmc +1 more source
Causal Prediction of TP53 Variant Pathogenicity Using a Perturbation‐Informed Protein Language Model
Advanced Science, EarlyView.A TP53‐specific predictor, CaVepP53, is developed by fine‐tuning ESMC on experimentally validated variants, quantifying pathogenicity via Euclidean distances. It outperforms general‐purpose models and extends to five cancer genes, enabling interpretable variant classification for precision medicine.
Huiying Chen +15 more
wiley +1 more source
A Step‐by‐Step Workflow for Performing In Silico Clinical Trials With Nonlinear Mixed Effects Models
CPT: Pharmacometrics & Systems PharmacologyIn silico clinical trials (ISCT) are computational frameworks that employ mathematical models to generate virtual patients and simulate their responses to new treatments, treatment regimens, or medical devices via simulations mirroring real‐world ...
Javiera Cortés‐Ríos +4 more
doaj +1 more source
The Changing Nature of Pharmaceutical R&D - Opportunities for Asia? [PDF]
During the 1990''s, the pharmaceutical R&D process has witnessed tremendous technological changes. The emergence of new tools like ''combinatorial chemistry'', ''high throughput screening'' and the in-creasing use of computer-aided in silico experiments ...
Mahlich ,Jörg C. +1 more
core +1 more source
β‐Adrenergic Signaling Promotes Anti‐Tumor Immunity in TP53‐mutant Oral Squamous Cell Carcinoma
Advanced Science, EarlyView.β‐adrenergic stimulation enhances anti‐tumor immunity in TP53‐deficient oral squamous cell carcinoma by inducing tumor‐derived secretion of CXCL10, which attracts and activates cytotoxic CD8+ T cells. The findings demonstrate that β‐adrenergic signaling alters tumor–immune interactions via CXCL10‐mediated paracrine activation, revealing a neuro‐immune ...
Frederico O. Gleber‐Netto +20 more
wiley +1 more source
Linearizing and Forecasting: A Reservoir Computing Route to Digital Twins of the Brain
Advanced Science, EarlyView.A new approach uses simple neural networks to create digital twins of brain activity, capturing how different patterns unfold over time. The method generates and recovers key dynamics even from noisy data. When applied to fMRI, it predicts brain signals and reveals distinctive activity patterns across regions and individuals, opening possibilities for ...
Gabriele Di Antonio +3 more
wiley +1 more source