Supervised machine learning approach to molecular dynamics forecast of SARS-CoV-2 spike glycoproteins at varying temperatures

Physics & Astronomy

• machine learning 74%
• forecasting 67%
• spikes 58%
• molecular dynamics 42%
• data simulation 22%
• temperature 17%
• simulation 9%
• deviation 9%
• predictions 6%
• molecules 6%
• education 6%
• evaluation 4%
• atoms 3%
• performance 2%
• interactions 2%

Engineering & Materials Science

• Glycoproteins 100%
• Machine learning 42%
• Temperature 23%
• Long short-term memory 22%
• Computer simulation 17%
• Molecules 12%
• Neural networks 7%
• Atoms 6%
• Fast Fourier transforms 6%

Chemical Compounds

• Glycoprotein 53%
• Molecular Dynamics 42%
• Error 18%