Efficient Parameter Estimation of Generalizable Coarse-Grained Protein Force Fields Using Contrastive Divergence: A Maximum Likelihood Approach

Physics & Astronomy

• field theory (physics) 100%
• divergence 87%
• proteins 78%
• education 36%
• Lennard-Jones potential 30%
• inference 27%
• peptides 27%
• cut-off 20%
• ascent 17%
• gradients 16%
• machine learning 15%
• simulation 14%
• logarithms 13%
• folding 12%
• computer programs 8%
• optimization 8%
• physics 7%
• room temperature 6%
• energy 3%

Engineering & Materials Science

• Maximum likelihood 92%
• Parameter estimation 91%
• Proteins 90%
• Lennard-Jones potential 41%
• Peptides 32%
• Conformations 15%
• Physics 10%
• Machine learning 9%
• Temperature 4%

Chemistry

• Force 66%
• Protein 40%
• Lennard-Jones Potential 36%
• Simulation 23%
• Van Der Waals Potential 21%
• Peptide 14%
• Secondary Structure 10%
• Ambient Reaction Temperature 6%
• Energy 5%