text: user7150: I would like to work on a project that involves the prediction of protein-ligand binding kinetics. What might be the feature that is relevant for the prediction?
  
  user6322: 
  This is a comment to redirect to other answers, but go too long.
  
  Docking is the in silico prediction of where a ligand binds in a protein.
  There are several Q&As about docking here that are relevant, so please check out:
  
  machine learning, docking and the factors that affect it: Generate ligands candidates based on protein shape —also worth a read the "learning from the ligand" paper paper, which discusses why some ligand only parameters tell a lot about binding.
  correlation between docking scores and enzyme kinetics: Purpose of correlating docking score with catalytic efficiency(Kcat/km) —discusses a paper https://www.nature.com/articles/ncomms12965 wherein a linear regression is done between docking scores and kcat/KM
  
  
original_text: 7150: <p>I would like to work on a project that involves the prediction of protein-ligand binding kinetics. What might be the feature that is relevant for the prediction?</p>
   6322: <blockquote>
  <p>This is a comment to redirect to other answers, but go too long.</p>
  </blockquote>
  <p>Docking is the <em>in silico</em> prediction of where a ligand binds in a protein.</p>
  <p>There are several Q&amp;As about docking here that are relevant, so please check out:</p>
  <ul>
  <li>machine learning, docking and the factors that affect it: <a href="https://bioinformatics.stackexchange.com/questions/12971/generate-ligands-candidates-based-on-protein-shape/12975#12975">Generate ligands candidates based on protein shape</a> —also worth a read the <a href="https://academic.oup.com/bioinformatics/article-abstract/36/3/758/5554651" rel="nofollow noreferrer">&quot;learning from the ligand&quot; paper</a> paper, which discusses why some ligand only parameters tell a lot about binding.</li>
  <li>correlation between docking scores and enzyme kinetics: <a href="https://bioinformatics.stackexchange.com/questions/7504/purpose-of-correlating-docking-score-with-catalytic-efficiencykcat-km/10593#10593">Purpose of correlating docking score with catalytic efficiency(Kcat/km)</a> —discusses a paper <a href="https://www.nature.com/articles/ncomms12965" rel="nofollow noreferrer">https://www.nature.com/articles/ncomms12965</a> wherein a linear regression is done between docking scores and kcat/KM</li>
  </ul>
  