Lv5
1100 积分 2025-10-21 加入
Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven multi-class QSAR, ligand-based pharmacophore and free energy-inspired molecular simulation
7天前
已完结
AI-Designed Molecules in Drug Discovery, Structural Novelty Evaluation, and Implications
19天前
已完结
Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study
19天前
已完结
Graph Neural Networks in Modern AI-Aided Drug Discovery
19天前
已完结
The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations
19天前
已完结
Structure-based virtual screening of perfluoroalkyl and polyfluoroalkyl substances (PFASs) as endocrine disruptors of androgen receptor activity using molecular docking and machine learning
1个月前
已完结
Structural Insights into Recognition and Translocation of Oxidized Phospholipid by CD36 Using Mass Spectrometry, Molecular Docking, Dynamics, and Metadynamics Simulations
1个月前
已完结
In Silico investigation of Danshen (Salvia miltiorrhiza) derivatives as potential inhibitor of amyloid beta fibril and design of promising lead compounds as Anti Alzheimer’s drug by pharmacophore modeling
1个月前
已完结
In silico-guided engineering of broad-spectrum aptamer for the highly sensitive detection of organophosphate pesticides
1个月前
已完结
In silico profiling of bisphenol compounds for estrogenic effects via pharmacophore modeling, molecular docking, and dynamics simulations
1个月前
已完结
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