Yang Zhang

Publications

• Disrupting Dimeric β-Amyloid by Electric Fields
• Simulation of protein dynamics for mechanistic insight and drug design
• SiESTA-Surf a python interface for GPU-based surface generation
• In silico design of anti-cancer compounds targeting R-spondin using molecular dynamics
• A versatile browser-based platform for molecular dynamics simulation and visualization
• Combining Molecular Dynamics and Machine Learning for Drug Design
• Benchmarking the robustness of the correct identification of flexible 3D objects using common machine learning models
• A FAIR-Compliant Management Solution for Molecular Simulation Trajectories
• Parallelized Tools for the Preparation and Curation of Large Libraries for Virtual Screening
• Nearl: Extracting dynamic features from molecular dynamics trajectories for machine learning tasks